/usr/share/psi/basis/cc-pvqz.gbs is in psi4-data 1:0.3-5.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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5222 5223 5224 5225 5226 5227 5228 5229 5230 5231 5232 5233 5234 5235 5236 5237 5238 5239 5240 5241 5242 5243 5244 5245 5246 5247 5248 5249 5250 5251 5252 5253 5254 5255 5256 5257 5258 5259 5260 5261 5262 5263 5264 5265 5266 5267 5268 5269 5270 5271 5272 5273 5274 5275 5276 5277 5278 5279 5280 5281 5282 5283 5284 5285 5286 5287 5288 5289 5290 5291 5292 5293 5294 5295 5296 5297 5298 5299 5300 5301 5302 5303 5304 5305 5306 5307 5308 5309 5310 5311 5312 5313 5314 5315 5316 5317 5318 5319 5320 5321 5322 5323 5324 5325 5326 5327 5328 5329 5330 5331 5332 5333 5334 5335 5336 5337 5338 5339 5340 5341 5342 5343 5344 5345 5346 5347 5348 5349 5350 5351 5352 5353 5354 5355 5356 5357 5358 5359 5360 5361 5362 5363 5364 5365 5366 5367 5368 5369 5370 5371 5372 5373 5374 5375 5376 5377 5378 5379 5380 5381 5382 5383 5384 5385 5386 5387 5388 5389 5390 5391 5392 5393 5394 5395 5396 5397 5398 5399 5400 5401 5402 5403 5404 5405 5406 5407 5408 5409 5410 5411 5412 5413 5414 5415 5416 5417 5418 5419 5420 5421 5422 5423 5424 5425 5426 5427 5428 5429 5430 5431 5432 5433 5434 5435 5436 5437 5438 5439 5440 5441 5442 5443 5444 5445 5446 5447 5448 5449 5450 5451 5452 5453 5454 5455 5456 5457 5458 5459 5460 5461 5462 5463 5464 5465 5466 5467 5468 5469 5470 5471 5472 5473 5474 5475 5476 5477 5478 5479 5480 5481 5482 5483 5484 5485 5486 5487 5488 5489 5490 5491 5492 5493 5494 5495 5496 5497 5498 5499 5500 5501 5502 5503 5504 | spherical
!
! cc-pVQZ EMSL Basis Set Exchange Library 8/12/10 2:36 AM
! Elements References
! -------- ----------
! H : T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
! He : D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 100, 2975 (1994).
! Li - Ne: T.H. Dunning, Jr. J. Chem. Phys. 90, 1007 (1989).
! Na - Mg: D.E. Woon and T.H. Dunning, Jr. (to be published)
! Al - Ar: D.E. Woon and T.H. Dunning, Jr. J. Chem. Phys. 98, 1358 (1993).
! Ca : J. Koput and K.A. Peterson, J. Phys. Chem. A, 106, 9595 (2002).
! Sc - Zn: N.B. Balabanov and K.A. Peterson, J. Chem. Phys, 123, 064107 (2005)
! Ga - Kr: A.K. Wilson, D.E. Woon, K.A. Peterson, T.H. Dunning, Jr. J. Chem. Phys., 110, 7667 (1999)
!
****
H 0
S 3 1.00
82.6400000 0.0020060
12.4100000 0.0153430
2.8240000 0.0755790
S 1 1.00
0.7977000 1.0000000
S 1 1.00
0.2581000 1.0000000
S 1 1.00
0.0898900 1.0000000
P 1 1.00
2.2920000 1.0000000
P 1 1.00
0.8380000 1.0000000
P 1 1.00
0.2920000 1.0000000
D 1 1.00
2.0620000 1.0000000
D 1 1.00
0.6620000 1.0000000
F 1 1.00
1.3970000 1.0000000
****
He 0
S 4 1.00
528.5000000 0.0009400
79.3100000 0.0072140
18.0500000 0.0359750
5.0850000 0.1277820
S 1 1.00
1.6090000 1.0000000
S 1 1.00
0.5363000 1.0000000
S 1 1.00
0.1833000 1.0000000
P 1 1.00
5.9940000 1.0000000
P 1 1.00
1.7450000 1.0000000
P 1 1.00
0.5600000 1.0000000
D 1 1.00
4.2990000 1.0000000
D 1 1.00
1.2230000 1.0000000
F 1 1.00
2.6800000 1.0000000
****
Li 0
S 9 1.00
6601.0000000 0.0001170
989.7000000 0.0009110
225.7000000 0.0047280
64.2900000 0.0191970
21.1800000 0.0630470
7.7240000 0.1632080
3.0030000 0.3148270
1.2120000 0.3939360
0.4930000 0.1969180
S 9 1.00
6601.0000000 -0.0000180
989.7000000 -0.0001420
225.7000000 -0.0007410
64.2900000 -0.0030200
21.1800000 -0.0101230
7.7240000 -0.0270940
3.0030000 -0.0573590
1.2120000 -0.0938950
0.4930000 -0.1210910
S 1 1.00
0.0951500 1.0000000
S 1 1.00
0.0479100 1.0000000
S 1 1.00
0.0222000 1.0000000
P 3 1.00
6.2500000 0.0033880
1.3700000 0.0193160
0.3672000 0.0791040
P 1 1.00
0.1192000 1.0000000
P 1 1.00
0.0447400 1.0000000
P 1 1.00
0.0179500 1.0000000
D 1 1.00
0.3440000 1.0000000
D 1 1.00
0.1530000 1.0000000
D 1 1.00
0.0680000 1.0000000
F 1 1.00
0.2460000 1.0000000
F 1 1.00
0.1292000 1.0000000
G 1 1.00
0.2380000 1.0000000
****
Be 0
S 9 1.00
14630.0000000 0.0000920
2191.0000000 0.0007130
498.2000000 0.0037350
140.9000000 0.0154680
45.8600000 0.0528740
16.4700000 0.1456940
6.3190000 0.3026810
2.5350000 0.4049360
1.0350000 0.2223870
S 9 1.00
14630.0000000 -0.0000170
2191.0000000 -0.0001300
498.2000000 -0.0006790
140.9000000 -0.0028570
45.8600000 -0.0098130
16.4700000 -0.0286090
6.3190000 -0.0637600
2.5350000 -0.1172310
1.0350000 -0.1212020
S 1 1.00
0.2528000 1.0000000
S 1 1.00
0.1052000 1.0000000
S 1 1.00
0.0426100 1.0000000
P 3 1.00
14.0300000 0.0040990
3.1680000 0.0256260
0.9024000 0.1037680
P 1 1.00
0.3036000 1.0000000
P 1 1.00
0.1130000 1.0000000
P 1 1.00
0.0428600 1.0000000
D 1 1.00
1.0720000 1.0000000
D 1 1.00
0.4410000 1.0000000
D 1 1.00
0.1811000 1.0000000
F 1 1.00
0.4810000 1.0000000
F 1 1.00
0.2550000 1.0000000
G 1 1.00
0.4150000 1.0000000
****
B 0
S 9 1.00
23870.0000000 0.0000880
3575.0000000 0.0006870
812.8000000 0.0036000
229.7000000 0.0149490
74.6900000 0.0514350
26.8100000 0.1433020
10.3200000 0.3009350
4.1780000 0.4035260
1.7270000 0.2253400
S 9 1.00
23870.0000000 -0.0000180
3575.0000000 -0.0001390
812.8000000 -0.0007250
229.7000000 -0.0030630
74.6900000 -0.0105810
26.8100000 -0.0313650
10.3200000 -0.0710120
4.1780000 -0.1321030
1.7270000 -0.1230720
S 1 1.00
0.4704000 1.0000000
S 1 1.00
0.1896000 1.0000000
S 1 1.00
0.0739400 1.0000000
P 3 1.00
22.2600000 0.0050950
5.0580000 0.0332060
1.4870000 0.1323140
P 1 1.00
0.5071000 1.0000000
P 1 1.00
0.1812000 1.0000000
P 1 1.00
0.0646300 1.0000000
D 1 1.00
1.1100000 1.0000000
D 1 1.00
0.4020000 1.0000000
D 1 1.00
0.1450000 1.0000000
F 1 1.00
0.8820000 1.0000000
F 1 1.00
0.3110000 1.0000000
G 1 1.00
0.6730000 1.0000000
****
C 0
S 9 1.00
33980.0000000 0.0000910
5089.0000000 0.0007040
1157.0000000 0.0036930
326.6000000 0.0153600
106.1000000 0.0529290
38.1100000 0.1470430
14.7500000 0.3056310
6.0350000 0.3993450
2.5300000 0.2170510
S 9 1.00
33980.0000000 -0.0000190
5089.0000000 -0.0001510
1157.0000000 -0.0007850
326.6000000 -0.0033240
106.1000000 -0.0115120
38.1100000 -0.0341600
14.7500000 -0.0771730
6.0350000 -0.1414930
2.5300000 -0.1180190
S 1 1.00
0.7355000 1.0000000
S 1 1.00
0.2905000 1.0000000
S 1 1.00
0.1111000 1.0000000
P 3 1.00
34.5100000 0.0053780
7.9150000 0.0361320
2.3680000 0.1424930
P 1 1.00
0.8132000 1.0000000
P 1 1.00
0.2890000 1.0000000
P 1 1.00
0.1007000 1.0000000
D 1 1.00
1.8480000 1.0000000
D 1 1.00
0.6490000 1.0000000
D 1 1.00
0.2280000 1.0000000
F 1 1.00
1.4190000 1.0000000
F 1 1.00
0.4850000 1.0000000
G 1 1.00
1.0110000 1.0000000
****
N 0
S 9 1.00
45840.0000000 0.0000920
6868.0000000 0.0007170
1563.0000000 0.0037490
442.4000000 0.0155320
144.3000000 0.0531460
52.1800000 0.1467870
20.3400000 0.3046630
8.3810000 0.3976840
3.5290000 0.2176410
S 9 1.00
45840.0000000 -0.0000200
6868.0000000 -0.0001590
1563.0000000 -0.0008240
442.4000000 -0.0034780
144.3000000 -0.0119660
52.1800000 -0.0353880
20.3400000 -0.0800770
8.3810000 -0.1467220
3.5290000 -0.1163600
S 1 1.00
1.0540000 1.0000000
S 1 1.00
0.4118000 1.0000000
S 1 1.00
0.1552000 1.0000000
P 3 1.00
49.3300000 0.0055330
11.3700000 0.0379620
3.4350000 0.1490280
P 1 1.00
1.1820000 1.0000000
P 1 1.00
0.4173000 1.0000000
P 1 1.00
0.1428000 1.0000000
D 1 1.00
2.8370000 1.0000000
D 1 1.00
0.9680000 1.0000000
D 1 1.00
0.3350000 1.0000000
F 1 1.00
2.0270000 1.0000000
F 1 1.00
0.6850000 1.0000000
G 1 1.00
1.4270000 1.0000000
****
O 0
S 9 1.00
61420.0000000 0.0000900
9199.0000000 0.0006980
2091.0000000 0.0036640
590.9000000 0.0152180
192.3000000 0.0524230
69.3200000 0.1459210
26.9700000 0.3052580
11.1000000 0.3985080
4.6820000 0.2169800
S 9 1.00
61420.0000000 -0.0000200
9199.0000000 -0.0001590
2091.0000000 -0.0008290
590.9000000 -0.0035080
192.3000000 -0.0121560
69.3200000 -0.0362610
26.9700000 -0.0829920
11.1000000 -0.1520900
4.6820000 -0.1153310
S 1 1.00
1.4280000 1.0000000
S 1 1.00
0.5547000 1.0000000
S 1 1.00
0.2067000 1.0000000
P 3 1.00
63.4200000 0.0060440
14.6600000 0.0417990
4.4590000 0.1611430
P 1 1.00
1.5310000 1.0000000
P 1 1.00
0.5302000 1.0000000
P 1 1.00
0.1750000 1.0000000
D 1 1.00
3.7750000 1.0000000
D 1 1.00
1.3000000 1.0000000
D 1 1.00
0.4440000 1.0000000
F 1 1.00
2.6660000 1.0000000
F 1 1.00
0.8590000 1.0000000
G 1 1.00
1.8460000 1.0000000
****
F 0
S 9 1.00
74530.0000000 0.0000950
11170.0000000 0.0007380
2543.0000000 0.0038580
721.0000000 0.0159260
235.9000000 0.0542890
85.6000000 0.1495130
33.5500000 0.3082520
13.9300000 0.3948530
5.9150000 0.2110310
S 9 1.00
74530.0000000 -0.0000220
11170.0000000 -0.0001720
2543.0000000 -0.0008910
721.0000000 -0.0037480
235.9000000 -0.0128620
85.6000000 -0.0380610
33.5500000 -0.0862390
13.9300000 -0.1558650
5.9150000 -0.1109140
S 1 1.00
1.8430000 1.0000000
S 1 1.00
0.7124000 1.0000000
S 1 1.00
0.2637000 1.0000000
P 3 1.00
80.3900000 0.0063470
18.6300000 0.0442040
5.6940000 0.1685140
P 1 1.00
1.9530000 1.0000000
P 1 1.00
0.6702000 1.0000000
P 1 1.00
0.2166000 1.0000000
D 1 1.00
5.0140000 1.0000000
D 1 1.00
1.7250000 1.0000000
D 1 1.00
0.5860000 1.0000000
F 1 1.00
3.5620000 1.0000000
F 1 1.00
1.1480000 1.0000000
G 1 1.00
2.3760000 1.0000000
****
Ne 0
S 9 1.00
99920.0000000 0.0000860
14960.0000000 0.0006690
3399.0000000 0.0035180
958.9000000 0.0146670
311.2000000 0.0509620
111.7000000 0.1437440
43.3200000 0.3045620
17.8000000 0.4001050
7.5030000 0.2186440
S 9 1.00
99920.0000000 -0.0000200
14960.0000000 -0.0001580
3399.0000000 -0.0008240
958.9000000 -0.0035000
311.2000000 -0.0122330
111.7000000 -0.0370170
43.3200000 -0.0861130
17.8000000 -0.1583810
7.5030000 -0.1142880
S 1 1.00
2.3370000 1.0000000
S 1 1.00
0.9001000 1.0000000
S 1 1.00
0.3301000 1.0000000
P 3 1.00
99.6800000 0.0065660
23.1500000 0.0459790
7.1080000 0.1734190
P 1 1.00
2.4410000 1.0000000
P 1 1.00
0.8339000 1.0000000
P 1 1.00
0.2662000 1.0000000
D 1 1.00
6.4710000 1.0000000
D 1 1.00
2.2130000 1.0000000
D 1 1.00
0.7470000 1.0000000
F 1 1.00
4.6570000 1.0000000
F 1 1.00
1.5240000 1.0000000
G 1 1.00
2.9830000 1.0000000
****
Na 0
S 16 1.00
1224000.0000000 0.478894D-05
183200.0000000 0.372395D-04
41700.0000000 0.195831D-03
11810.0000000 0.826698D-03
3853.0000000 0.300251D-02
1391.0000000 0.970310D-02
542.5000000 0.282337D-01
224.9000000 0.732058D-01
97.9300000 0.162897D+00
44.3100000 0.288708D+00
20.6500000 0.346829D+00
9.7290000 0.206865D+00
4.2280000 0.328009D-01
1.9690000 -0.647736D-03
0.8890000 0.145878D-02
0.3964000 -0.178346D-03
S 16 1.00
1224000.0000000 -0.116958D-05
183200.0000000 -0.909110D-05
41700.0000000 -0.478499D-04
11810.0000000 -0.201962D-03
3853.0000000 -0.735837D-03
1391.0000000 -0.238746D-02
542.5000000 -0.704969D-02
224.9000000 -0.187856D-01
97.9300000 -0.446153D-01
44.3100000 -0.897741D-01
20.6500000 -0.142940D+00
9.7290000 -0.124315D+00
4.2280000 0.999648D-01
1.9690000 0.417080D+00
0.8890000 0.475123D+00
0.3964000 0.163268D+00
S 16 1.00
1224000.0000000 0.175871D-06
183200.0000000 0.136594D-05
41700.0000000 0.719795D-05
11810.0000000 0.303349D-04
3853.0000000 0.110752D-03
1391.0000000 0.358596D-03
542.5000000 0.106272D-02
224.9000000 0.282687D-02
97.9300000 0.676742D-02
44.3100000 0.136480D-01
20.6500000 0.222814D-01
9.7290000 0.196011D-01
4.2280000 -0.167708D-01
1.9690000 -0.773734D-01
0.8890000 -0.113501D+00
0.3964000 -0.139130D+00
S 1 1.00
0.0699300 1.0000000
S 1 1.00
0.0328900 1.0000000
S 1 1.00
0.0161200 1.0000000
P 9 1.00
413.4000000 0.908196D-03
97.9800000 0.741773D-02
31.3700000 0.357464D-01
11.6200000 0.118520D+00
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14290.0000000 0.113754D-02
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Si 0
S 13 1.00
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4935.0000000 0.450597D-02
1602.0000000 0.162359D-01
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****
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****
S 0
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****
Cl 0
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****
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D 10 1.00
268.0400000 0.0003600
80.2223000 0.0032360
30.8950000 0.0161530
13.2481000 0.0534180
6.0407700 0.1335240
2.8615900 0.2386370
1.3554500 0.3094550
0.6282480 0.3056910
0.2806230 0.2182890
0.1186680 0.0896930
D 10 1.00
268.0400000 -0.0004070
80.2223000 -0.0036770
30.8950000 -0.0184220
13.2481000 -0.0620500
6.0407700 -0.1589460
2.8615900 -0.2629000
1.3554500 -0.2438830
0.6282480 0.0377400
0.2806230 0.4270640
0.1186680 0.4428120
D 10 1.00
268.0400000 -0.0005820
80.2223000 -0.0052760
30.8950000 -0.0267230
13.2481000 -0.0920120
6.0407700 -0.2423410
2.8615900 -0.3383560
1.3554500 -0.0138860
0.6282480 0.6731700
0.2806230 0.2610890
0.1186680 -0.6613960
D 10 1.00
268.0400000 0.0008280
80.2223000 0.0080720
30.8950000 0.0389600
13.2481000 0.1497060
6.0407700 0.3879330
2.8615900 0.2970340
1.3554500 -0.8758060
0.6282480 -0.2958520
0.2806230 1.2044240
0.1186680 -0.5298930
D 1 1.00
0.0459310 1.0000000
F 1 1.00
3.7611000 1.0000000
F 1 1.00
1.0928000 1.0000000
F 1 1.00
0.3175000 1.0000000
G 1 1.00
2.6143000 1.0000000
G 1 1.00
0.6951000 1.0000000
H 1 1.00
1.6775000 1.0000000
****
Mn 0
S 21 1.00
12210500.0000000 2.018537E-06
1828157.0000000 1.569638E-05
416030.3000000 8.257853E-05
117843.6000000 0.0003488107
38448.1400000 0.001270414
13881.7100000 0.004133905
5415.0020000 0.01224366
2246.4600000 0.0330604
980.1463000 0.08019877
445.8952000 0.1671550
210.0558000 0.2743977
101.8046000 0.2963690
50.0112600 0.1592852
22.9393900 0.05681818
11.5226400 0.0827899
5.7763380 0.05840628
2.6259590 0.007343047
1.2603220 -0.0002934793
0.5771300 -4.562245E-05
0.1365820 -9.934988E-06
0.0635350 2.391143E-05
S 21 1.00
12210500.0000000 -9.633574E-07
1828157.0000000 -7.493672E-06
416030.3000000 -3.941004E-05
117843.6000000 -0.0001666155
38448.1400000 -0.0006069041
13881.7100000 -0.001981108
5415.0020000 -0.005893486
2246.4600000 -0.01613849
980.1463000 -0.04018929
445.8952000 -0.08903423
210.0558000 -0.1646993
101.8046000 -0.2288840
50.0112600 -0.1560684
22.9393900 0.1882585
11.5226400 0.5512725
5.7763380 0.3755111
2.6259590 0.05061607
1.2603220 -0.004926193
0.5771300 -0.0006126838
0.1365820 -0.0002821975
0.0635350 0.0003009192
S 21 1.00
12210500.0000000 2.316977E-07
1828157.0000000 1.803633E-06
416030.3000000 9.476176E-06
117843.6000000 4.012553E-05
38448.1400000 0.000145987
13881.7100000 0.0004782368
5415.0020000 0.001424063
2246.4600000 0.003942807
980.1463000 0.009952411
445.8952000 0.0229242
210.0558000 0.04501638
101.8046000 0.07048742
50.0112600 0.05291064
22.9393900 -0.08983951
11.5226400 -0.3626155
5.7763380 -0.3621266
2.6259590 0.2656979
1.2603220 0.6892091
0.5771300 0.3337072
0.1365820 0.01594677
0.0635350 -0.004614546
S 21 1.00
12210500.0000000 -5.127786E-08
1828157.0000000 -3.991995E-07
416030.3000000 -2.097137E-06
117843.6000000 -8.881375E-06
38448.1400000 -3.230705E-05
13881.7100000 -0.0001058611
5415.0020000 -0.0003151614
2246.4600000 -0.0008730066
980.1463000 -0.002203528
445.8952000 -0.005081761
210.0558000 -0.009988834
101.8046000 -0.01570961
50.0112600 -0.01183955
22.9393900 0.02031039
11.5226400 0.08593055
5.7763380 0.08897427
2.6259590 -0.07678891
1.2603220 -0.2261750
0.5771300 -0.2271869
0.1365820 0.3003127
0.0635350 0.5953419
S 21 1.00
12210500.0000000 -1.017421E-07
1828157.0000000 -8.110718E-07
416030.3000000 -4.116344E-06
117843.6000000 -1.823899E-05
38448.1400000 -6.265924E-05
13881.7100000 -0.0002200741
5415.0020000 -0.0006024678
2246.4600000 -0.0018430
980.1463000 -0.004127938
445.8952000 -0.01100471
210.0558000 -0.0179012
101.8046000 -0.03676227
50.0112600 -0.01301427
22.9393900 0.01478153
11.5226400 0.2391713
5.7763380 0.08964957
2.6259590 -0.01299627
1.2603220 -1.0513300
0.5771300 0.4478536
0.1365820 1.8048060
0.0635350 -1.0710260
S 21 1.00
12210500.0000000 -1.64232E-07
1828157.0000000 -1.314241E-06
416030.3000000 -6.63284E-06
117843.6000000 -2.96042E-05
38448.1400000 -0.0001007673
13881.7100000 -0.0003579039
5415.0020000 -0.0009666897
2246.4600000 -0.003005179
980.1463000 -0.006605816
445.8952000 -0.0180382
210.0558000 -0.02853084
101.8046000 -0.06124413
50.0112600 -0.01893791
22.9393900 0.01888653
11.5226400 0.4329357
5.7763380 0.1661622
2.6259590 -0.3401427
1.2603220 -2.0393200
0.5771300 2.7946610
0.1365820 -0.7303582
0.0635350 -1.4080030
S 21 1.00
12210500.0000000 -2.001522E-07
1828157.0000000 -1.478765E-06
416030.3000000 -8.372432E-06
117843.6000000 -3.208892E-05
38448.1400000 -0.0001321413
13881.7100000 -0.0003714493
5415.0020000 -0.001326456
2246.4600000 -0.002951265
980.1463000 -0.009655762
445.8952000 -0.01616919
210.0558000 -0.04776647
101.8046000 -0.04049212
50.0112600 -0.09389925
22.9393900 0.1920182
11.5226400 0.2440487
5.7763380 0.8589060
2.6259590 -2.7931450
1.2603220 1.5640690
0.5771300 1.1184620
0.1365820 -4.0546640
0.0635350 5.4620540
S 1 1.00
0.0285210 1.0000000
P 17 1.00
35005.1200000 0.0000110
8279.4620000 0.0000980
2688.4650000 0.0005720
1029.4900000 0.0026040
438.0708000 0.0097790
200.6153000 0.0309380
97.0076900 0.0821940
48.8705200 0.1761490
25.2928100 0.2891330
13.3538200 0.3309560
7.1317860 0.2122180
3.7643650 0.0552270
1.9462650 0.0012070
0.9854550 -0.0023550
0.4818650 -0.0013200
0.1892120 -0.0000940
0.0779800 -0.0000070
P 17 1.00
35005.1200000 -0.0000040
8279.4620000 -0.0000340
2688.4650000 -0.0001990
1029.4900000 -0.0009070
438.0708000 -0.0034250
200.6153000 -0.0109850
97.0076900 -0.0298560
48.8705200 -0.0663660
25.2928100 -0.1135040
13.3538200 -0.1379910
7.1317860 -0.0493550
3.7643650 0.1912420
1.9462650 0.4023550
0.9854550 0.3821160
0.4818650 0.1681990
0.1892120 0.0179050
0.0779800 -0.0009580
P 17 1.00
35005.1200000 -0.0000010
8279.4620000 -0.0000080
2688.4650000 -0.0000460
1029.4900000 -0.0002080
438.0708000 -0.0007920
200.6153000 -0.0025220
97.0076900 -0.0069280
48.8705200 -0.0152920
25.2928100 -0.0266110
13.3538200 -0.0319780
7.1317860 -0.0112220
3.7643650 0.0549880
1.9462650 0.1104650
0.9854550 0.1281620
0.4818650 -0.0029800
0.1892120 -0.3368240
0.0779800 -0.5424410
P 17 1.00
35005.1200000 0.0000010
8279.4620000 0.0000100
2688.4650000 0.0000610
1029.4900000 0.0002780
438.0708000 0.0010520
200.6153000 0.0033660
97.0076900 0.0091930
48.8705200 0.0204040
25.2928100 0.0352770
13.3538200 0.0429860
7.1317860 0.0147830
3.7643650 -0.0708510
1.9462650 -0.1488630
0.9854550 -0.1726610
0.4818650 -0.0048570
0.1892120 0.5718810
0.0779800 0.5013280
P 17 1.00
35005.1200000 0.0000030
8279.4620000 0.0000210
2688.4650000 0.0001380
1029.4900000 0.0005680
438.0708000 0.0023680
200.6153000 0.0068870
97.0076900 0.0208050
48.8705200 0.0412070
25.2928100 0.0829490
13.3538200 0.0823300
7.1317860 0.0676490
3.7643650 -0.2505870
1.9462650 -0.3787840
0.9854550 -0.3965170
0.4818650 1.1501120
0.1892120 0.3830850
0.0779800 -0.8923280
P 17 1.00
35005.1200000 -0.0000030
8279.4620000 -0.0000320
2688.4650000 -0.0001650
1029.4900000 -0.0008520
438.0708000 -0.0028640
200.6153000 -0.0103380
97.0076900 -0.0249200
48.8705200 -0.0639080
25.2928100 -0.0917040
13.3538200 -0.1688330
7.1317860 -0.0457170
3.7643650 0.4475430
1.9462650 1.0445440
0.9854550 -1.4857210
0.4818650 -0.5306040
0.1892120 1.8217180
0.0779800 -1.0684500
P 1 1.00
0.0316850 1.0000000
D 10 1.00
301.4270000 0.0003610
90.3288000 0.0032590
34.8337000 0.0164190
14.9770000 0.0547600
6.8498300 0.1367270
3.2521700 0.2424190
1.5430900 0.3103760
0.7156410 0.3021700
0.3193230 0.2135730
0.1344280 0.0890940
D 10 1.00
301.4270000 -0.0003670
90.3288000 -0.0033310
34.8337000 -0.0168130
14.9770000 -0.0569290
6.8498300 -0.1457700
3.2521700 -0.2466730
1.5430900 -0.2342270
0.7156410 0.0233200
0.3193230 0.3875770
0.1344280 0.4676950
D 10 1.00
301.4270000 -0.0005810
90.3288000 -0.0053040
34.8337000 -0.0270190
14.9770000 -0.0940670
6.8498300 -0.2469380
3.2521700 -0.3420510
1.5430900 -0.0146210
0.7156410 0.6120700
0.3193230 0.3201120
0.1344280 -0.5609790
D 10 1.00
301.4270000 -0.0007460
90.3288000 -0.0068580
34.8337000 -0.0350360
14.9770000 -0.1265920
6.8498300 -0.3598640
3.2521700 -0.3065310
1.5430900 0.7526320
0.7156410 0.4176590
0.3193230 -1.0728320
0.1344280 0.2000430
D 1 1.00
0.0515700 1.0000000
F 1 1.00
4.4646000 1.0000000
F 1 1.00
1.3133000 1.0000000
F 1 1.00
0.3863000 1.0000000
G 1 1.00
3.1668000 1.0000000
G 1 1.00
0.8651000 1.0000000
H 1 1.00
2.0003000 1.0000000
****
Fe 0
S 21 1.00
0.1327714E+08 1.976511E-06
1987888.0000000 1.536912E-05
452387.1000000 8.085571E-05
128143.7000000 0.0003415253
41809.1700000 0.001243883
15095.3300000 0.004047547
5888.4380000 0.01198848
2442.8760000 0.03237358
1065.8570000 0.07854828
484.9096000 0.1637396
228.4585000 0.2687335
110.7453000 0.2896317
54.4311600 0.1554235
25.0109600 0.06284331
12.5926200 0.09927972
6.3232020 0.06931444
2.8833840 0.008885666
1.3828680 -0.00027762
0.6322010 1.27159E-06
0.1492380 -1.537759E-05
0.0684940 2.552339E-05
S 21 1.00
0.1327714E+08 -1.020185E-06
1987888.0000000 -7.935347E-06
452387.1000000 -4.173309E-05
128143.7000000 -0.0001764249
41809.1700000 -0.0006426379
15095.3300000 -0.00209744
5888.4380000 -0.00623875
2442.8760000 -0.01707492
1065.8570000 -0.0424857
484.9096000 -0.09392294
228.4585000 -0.1730554
110.7453000 -0.2386626
54.4311600 -0.1623971
25.0109600 0.1869345
12.5926200 0.5495686
6.3232020 0.3723118
2.8833840 0.05057065
1.3828680 -0.004072645
0.6322010 -0.0002732199
0.1492380 -0.0002612296
0.0684940 0.0002547393
S 21 1.00
0.1327714E+08 2.340322E-07
1987888.0000000 1.821727E-06
452387.1000000 9.571315E-06
128143.7000000 4.052652E-05
41809.1700000 0.0001474531
15095.3300000 0.0004830333
5888.4380000 0.001438609
2442.8760000 0.003983915
1065.8570000 0.01006355
484.9096000 0.0232061
228.4585000 0.0456678
110.7453000 0.07169322
54.4311600 0.05421018
25.0109600 -0.09163776
12.5926200 -0.3693219
6.3232020 -0.3616033
2.8833840 0.2734191
1.3828680 0.6889090
0.6322010 0.3294179
0.1492380 0.01558687
0.0684940 -0.004161049
S 21 1.00
0.1327714E+08 -5.062297E-08
1987888.0000000 -3.940586E-07
452387.1000000 -2.07034E-06
128143.7000000 -8.766406E-06
41809.1700000 -3.189537E-05
15095.3300000 -0.0001044911
5888.4380000 -0.0003112113
2442.8760000 -0.0008620181
1065.8570000 -0.002178129
484.9096000 -0.00502697
228.4585000 -0.009908113
110.7453000 -0.01561357
54.4311600 -0.01187731
25.0109600 0.02031246
12.5926200 0.08560291
6.3232020 0.08702717
2.8833840 -0.07758197
1.3828680 -0.2214919
0.6322010 -0.2196263
0.1492380 0.2869893
0.0684940 0.5927434
S 21 1.00
0.1327714E+08 -9.957952E-08
1987888.0000000 -7.925506E-07
452387.1000000 -4.031635E-06
128143.7000000 -1.780938E-05
41809.1700000 -6.14201E-05
15095.3300000 -0.00021473
5888.4380000 -0.0005912544
2442.8760000 -0.001797193
1065.8570000 -0.004061089
484.9096000 -0.01073419
228.4585000 -0.01773464
110.7453000 -0.03586338
54.4311600 -0.01374002
25.0109600 0.01645324
12.5926200 0.2322749
6.3232020 0.09256802
2.8833840 -0.03322957
1.3828680 -0.9860290
0.6322010 0.4046445
0.1492380 1.6888890
0.0684940 -0.8479093
S 21 1.00
0.1327714E+08 -1.678013E-07
1987888.0000000 -1.337004E-06
452387.1000000 -6.790249E-06
128143.7000000 -3.005871E-05
41809.1700000 -0.0001033899
15095.3300000 -0.0003626365
5888.4380000 -0.0009947359
2442.8760000 -0.003038134
1065.8570000 -0.006831095
484.9096000 -0.01819172
228.4585000 -0.02987575
110.7453000 -0.06129076
54.4311600 -0.02302594
25.0109600 0.02701671
12.5926200 0.4229967
6.3232020 0.2153088
2.8833840 -0.4343164
1.3828680 -1.9503480
0.6322010 2.7202330
0.1492380 -0.6123241
0.0684940 -1.4683290
S 21 1.00
0.1327714E+08 -1.97919E-07
1987888.0000000 -1.454458E-06
452387.1000000 -8.296892E-06
128143.7000000 -3.147678E-05
41809.1700000 -0.0001312505
15095.3300000 -0.0003631851
5888.4380000 -0.001321103
2442.8760000 -0.002874345
1065.8570000 -0.009655667
484.9096000 -0.01565078
228.4585000 -0.0481821
110.7453000 -0.03801945
54.4311600 -0.09789664
25.0109600 0.1990898
12.5926200 0.2020013
6.3232020 0.9776064
2.8833840 -3.0035790
1.3828680 1.8016620
0.6322010 0.9747971
0.1492380 -3.8975570
0.0684940 5.2279090
S 1 1.00
0.0303810 1.0000000
P 17 1.00
38282.0500000 0.0000110
9061.5560000 0.0000970
2944.4500000 0.0005660
1128.1580000 0.0025750
480.3380000 0.0096760
220.1368000 0.0306440
106.5482000 0.0815530
53.7426200 0.1752450
27.8631800 0.2884650
14.7438200 0.3307340
7.8933510 0.2127700
4.1794970 0.0562030
2.1656690 0.0018070
1.0972400 -0.0019990
0.5360850 -0.0011550
0.2023740 -0.0000790
0.0817420 -0.0000030
P 17 1.00
38282.0500000 -0.0000040
9061.5560000 -0.0000340
2944.4500000 -0.0001990
1128.1580000 -0.0009110
480.3380000 -0.0034370
220.1368000 -0.0110420
106.5482000 -0.0300610
53.7426200 -0.0670490
27.8631800 -0.1150700
14.7438200 -0.1399170
7.8933510 -0.0494800
4.1794970 0.1917090
2.1656690 0.4030120
1.0972400 0.3807170
0.5360850 0.1693050
0.2023740 0.0178720
0.0817420 -0.0014330
P 17 1.00
38282.0500000 0.0000010
9061.5560000 0.0000070
2944.4500000 0.0000440
1128.1580000 0.0001970
480.3380000 0.0007510
220.1368000 0.0023910
106.5482000 0.0065950
53.7426200 0.0145700
27.8631800 0.0255290
14.7438200 0.0304850
7.8933510 0.0108530
4.1794970 -0.0523850
2.1656690 -0.1032710
1.0972400 -0.1212410
0.5360850 0.0008400
0.2023740 0.3272880
0.0817420 0.5442260
P 17 1.00
38282.0500000 0.0000010
9061.5560000 0.0000110
2944.4500000 0.0000660
1128.1580000 0.0002950
480.3380000 0.0011340
220.1368000 0.0035850
106.5482000 0.0099500
53.7426200 0.0218100
27.8631800 0.0386610
14.7438200 0.0456280
7.8933510 0.0179580
4.1794970 -0.0815930
2.1656690 -0.1581940
1.0972400 -0.1890710
0.5360850 0.0446210
0.2023740 0.6116920
0.0817420 0.4461700
P 17 1.00
38282.0500000 0.0000030
9061.5560000 0.0000220
2944.4500000 0.0001470
1128.1580000 0.0005980
480.3380000 0.0025270
220.1368000 0.0072600
106.5482000 0.0223000
53.7426200 0.0435920
27.8631800 0.0898240
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7.8933510 0.0797000
4.1794970 -0.2943090
2.1656690 -0.4046430
1.0972400 -0.3242020
0.5360850 1.1898370
0.2023740 0.2280980
0.0817420 -0.8474340
P 17 1.00
38282.0500000 -0.0000030
9061.5560000 -0.0000330
2944.4500000 -0.0001780
1128.1580000 -0.0008800
480.3380000 -0.0030750
220.1368000 -0.0107140
106.5482000 -0.0269530
53.7426200 -0.0662790
27.8631800 -0.1011440
14.7438200 -0.1704670
7.8933510 -0.0837750
4.1794970 0.6056490
2.1656690 0.9572390
1.0972400 -1.7348360
0.5360850 -0.0978650
0.2023740 1.5748130
0.0817420 -1.0818170
P 1 1.00
0.0326620 1.0000000
D 10 1.00
338.5060000 0.0003560
101.4920000 0.0032290
39.1867000 0.0164140
16.9034000 0.0551330
7.7629600 0.1375020
3.6988700 0.2425950
1.7596300 0.3085230
0.8166510 0.2998140
0.3638210 0.2150480
0.1525410 0.0925770
D 10 1.00
338.5060000 -0.0003910
101.4920000 -0.0035760
39.1867000 -0.0181910
16.9034000 -0.0620900
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41961.4000000 -0.0000040
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41961.4000000 0.0000010
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41961.4000000 0.0000010
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P 17 1.00
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D 10 1.00
375.3200000 0.0003560
112.6040000 0.0032390
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4.1371100 0.2443780
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375.3200000 -0.0004110
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D 10 1.00
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D 10 1.00
375.3200000 -0.0008270
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43.5190000 -0.0392680
18.8147000 -0.1333410
8.6649100 -0.4342300
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****
Ni 0
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2321071.0000000 1.621425E-05
528180.2000000 8.530773E-05
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S 21 1.00
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2321071.0000000 -1.449716E-06
528180.2000000 -8.363444E-06
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3.4135760 -3.5264900
1.6328840 2.5508150
0.7435790 0.4306461
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S 1 1.00
0.0337010 1.0000000
P 16 1.00
45066.6200000 0.0000110
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3463.4310000 0.0005640
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564.7414000 0.0096770
258.8288000 0.0307420
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45066.6200000 -0.0000040
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P 17 1.00
45066.6200000 0.0000010
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3463.4310000 0.0000410
1326.6240000 0.0001860
564.7414000 0.0007120
258.8288000 0.0022690
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P 17 1.00
45066.6200000 0.0000020
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3463.4310000 0.0000840
1326.6240000 0.0003710
564.7414000 0.0014600
258.8288000 0.0045370
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P 17 1.00
45066.6200000 0.0000030
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3463.4310000 0.0001550
1326.6240000 0.0006460
564.7414000 0.0026890
258.8288000 0.0078990
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P 17 1.00
45066.6200000 0.0000040
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564.7414000 0.0034630
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P 1 1.00
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414.3427000 0.0003500
124.3926000 0.0032000
48.1154000 0.0164770
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4.6034000 0.2427760
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414.3427000 -0.0003620
124.3926000 -0.0033350
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D 10 1.00
414.3427000 -0.0005290
124.3926000 -0.0049280
48.1154000 -0.0253720
20.8420000 -0.0896540
9.6221000 -0.2387440
4.6034000 -0.3597210
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0.4544000 0.3313020
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D 10 1.00
414.3427000 -0.0007870
124.3926000 -0.0067780
48.1154000 -0.0377260
20.8420000 -0.1291250
9.6221000 -0.4148090
4.6034000 -0.2839570
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F 1 1.00
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F 1 1.00
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5.3123000 1.0000000
G 1 1.00
1.5457000 1.0000000
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3.3495000 1.0000000
****
Cu 0
S 21 1.00
16665490.0000000 1.92221E-06
2495213.0000000 1.494655E-05
567850.7000000 7.863106E-05
160853.1000000 0.0003321189
52481.8600000 0.001209649
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2495213.0000000 -8.420869E-06
567850.7000000 -4.428625E-05
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16665490.0000000 2.389605E-07
2495213.0000000 1.860009E-06
567850.7000000 9.77258E-06
160853.1000000 4.137619E-05
52481.8600000 0.0001505588
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16665490.0000000 -4.823436E-08
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567850.7000000 -1.972743E-06
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S 21 1.00
16665490.0000000 -8.876635E-08
2495213.0000000 -7.032135E-07
567850.7000000 -3.601366E-06
160853.1000000 -1.576871E-05
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16665490.0000000 -1.849356E-07
2495213.0000000 -1.461905E-06
567850.7000000 -7.510534E-06
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1.7629020 -1.6631160
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16665490.0000000 -1.980951E-07
2495213.0000000 -1.446191E-06
567850.7000000 -8.326308E-06
160853.1000000 -3.11938E-05
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139.1530000 -0.03583468
68.4945500 -0.1044906
31.6010800 0.2105854
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8.0565100 1.1505130
3.6903290 -3.4837320
1.7629020 2.5166360
0.8012690 0.4429064
0.1842430 -3.4043100
0.0817930 4.6278500
S 1 1.00
0.0353030 1.0000000
P 16 1.00
48218.4100000 0.0000110
11420.5500000 0.0000970
3713.5690000 0.0005690
1423.7620000 0.0025890
606.6041000 0.0097420
278.2564000 0.0309300
134.8449000 0.0825300
68.1225400 0.1777580
35.4008800 0.2922250
18.7902900 0.3303490
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5.3461200 0.0527930
2.7752280 0.0017180
1.4075640 -0.0017010
0.6872130 -0.0009760
0.2468220 -0.0000540
P 17 1.00
48218.4100000 -0.0000040
11420.5500000 -0.0000350
3713.5690000 -0.0002060
1423.7620000 -0.0009410
606.6041000 -0.0035560
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134.8449000 -0.0313090
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18.7902900 -0.1435520
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5.3461200 0.2084660
2.7752280 0.4087240
1.4075640 0.3682010
0.6872130 0.1596530
0.2468220 0.0159550
0.0962200 -0.0016810
P 17 1.00
48218.4100000 0.0000010
11420.5500000 0.0000070
3713.5690000 0.0000400
1423.7620000 0.0001820
606.6041000 0.0006970
278.2564000 0.0022200
134.8449000 0.0061630
68.1225400 0.0136310
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5.3461200 -0.0511330
2.7752280 -0.0923050
1.4075640 -0.1064580
0.6872130 0.0037380
0.2468220 0.3105410
0.0962200 0.5419030
P 17 1.00
48218.4100000 0.0000020
11420.5500000 0.0000130
3713.5690000 0.0000790
1423.7620000 0.0003490
606.6041000 0.0013730
278.2564000 0.0042610
134.8449000 0.0121460
68.1225400 0.0260640
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5.3461200 -0.1177830
2.7752280 -0.1883970
1.4075640 -0.2019160
0.6872130 0.1737430
0.2468220 0.6368480
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P 17 1.00
48218.4100000 0.0000030
11420.5500000 0.0000250
3713.5690000 0.0001630
1423.7620000 0.0006760
606.6041000 0.0028080
278.2564000 0.0082550
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68.1225400 0.0501600
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5.3461200 -0.3844490
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1.4075640 -0.0947780
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0.2468220 -0.0541330
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P 17 1.00
48218.4100000 0.0000040
11420.5500000 0.0000370
3713.5690000 0.0001900
1423.7620000 0.0009780
606.6041000 0.0033080
278.2564000 0.0119800
134.8449000 0.0292070
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1.4075640 1.8997060
0.6872130 -0.5022240
0.2468220 -1.1824130
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P 1 1.00
0.0370370 1.0000000
D 10 1.00
527.8860000 0.0002560
158.7330000 0.0023780
61.5556000 0.0127220
26.8834000 0.0450120
12.5175000 0.1171960
6.0697700 0.2185550
2.9583190 0.2914480
1.4141220 0.2971380
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D 10 1.00
527.8860000 -0.0003160
158.7330000 -0.0029580
61.5556000 -0.0158770
26.8834000 -0.0568640
12.5175000 -0.1535840
6.0697700 -0.2811390
2.9583190 -0.2685180
1.4141220 0.0231300
0.6533290 0.3566200
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D 10 1.00
527.8860000 0.0003790
158.7330000 0.0035730
61.5556000 0.0192290
26.8834000 0.0699030
12.5175000 0.1993800
6.0697700 0.3488480
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1.4141220 -0.5596790
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D 10 1.00
527.8860000 -0.0005930
158.7330000 -0.0051060
61.5556000 -0.0299220
26.8834000 -0.1032930
12.5175000 -0.3595680
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1.4141220 0.5425150
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D 1 1.00
0.1150140 1.0000000
F 1 1.00
7.7344000 1.0000000
F 1 1.00
2.3909000 1.0000000
F 1 1.00
0.7391000 1.0000000
G 1 1.00
6.0075000 1.0000000
G 1 1.00
1.7760000 1.0000000
H 1 1.00
3.7909000 1.0000000
****
Zn 0
S 21 1.00
0.1785293E+08 2.106603E-06
2673038.0000000 1.638051E-05
608324.4000000 8.617178E-05
172317.6000000 0.0003640028
56222.6900000 0.001325778
20299.8500000 0.004315394
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3285.3400000 0.03459541
1433.5240000 0.08423468
652.2889000 0.1769497
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149.1466000 0.3286054
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S 21 1.00
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2673038.0000000 -5.059606E-06
608324.4000000 -2.660362E-05
172317.6000000 -0.0001125168
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S 21 1.00
0.1785293E+08 2.455424E-07
2673038.0000000 1.911263E-06
608324.4000000 1.004137E-05
172317.6000000 4.25171E-05
56222.6900000 0.0001546957
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1433.5240000 0.01058425
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3.9725050 0.3070109
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S 21 1.00
0.1785293E+08 4.916948E-08
2673038.0000000 3.829348E-07
608324.4000000 2.010287E-06
172317.6000000 8.520784E-06
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3.9725050 0.07950591
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S 21 1.00
0.1785293E+08 -1.379282E-07
2673038.0000000 -1.098688E-06
608324.4000000 -5.581627E-06
172317.6000000 -2.469757E-05
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1.8946650 -1.2899700
0.8593850 0.9898685
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S 21 1.00
0.1785293E+08 -1.951222E-07
2673038.0000000 -1.513488E-06
608324.4000000 -7.991991E-06
172317.6000000 -3.361493E-05
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1.8946650 -0.8366769
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S 21 1.00
0.1785293E+08 -2.631275E-07
2673038.0000000 -1.954514E-06
608324.4000000 -1.098059E-05
172317.6000000 -4.252529E-05
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3.9725050 -5.6490630
1.8946650 6.8434890
0.8593850 -3.3201000
0.1952560 -0.2249601
0.0858540 1.9021540
S 1 1.00
0.0367810 1.0000000
P 17 1.00
52867.9300000 0.0000110
12511.7900000 0.0000940
4065.2860000 0.0005510
1557.5950000 0.0025110
663.2892000 0.0094700
304.1561000 0.0301690
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3.0529360 0.0050520
1.5472250 0.0009970
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P 17 1.00
52867.9300000 -0.0000040
12511.7900000 -0.0000350
4065.2860000 -0.0002060
1557.5950000 -0.0009420
663.2892000 -0.0035700
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3.0529360 0.4100860
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0.7541510 0.1581180
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P 17 1.00
52867.9300000 0.0000010
12511.7900000 0.0000060
4065.2860000 0.0000380
1557.5950000 0.0001730
663.2892000 0.0006640
304.1561000 0.0021200
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74.4546900 0.0131530
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3.0529360 -0.0888940
1.5472250 -0.1036180
0.7541510 0.0010510
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P 17 1.00
52867.9300000 0.0000010
12511.7900000 0.0000110
4065.2860000 0.0000670
1557.5950000 0.0002960
663.2892000 0.0011570
304.1561000 0.0036340
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3.0529360 -0.1601770
1.5472250 -0.1808950
0.7541510 0.0948260
0.2653490 0.6291530
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P 17 1.00
52867.9300000 0.0000030
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4065.2860000 0.0001590
1557.5950000 0.0006460
663.2892000 0.0027470
304.1561000 0.0079380
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3.0529360 -0.4203930
1.5472250 -0.1825620
0.7541510 1.1778870
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P 17 1.00
52867.9300000 -0.0000030
12511.7900000 -0.0000360
4065.2860000 -0.0001740
1557.5950000 -0.0009530
663.2892000 -0.0030470
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0.7541510 0.2914540
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P 1 1.00
0.0387550 1.0000000
D 10 1.00
639.7806000 0.0002080
192.6742000 0.0019540
74.8436800 0.0107110
32.8604800 0.0390570
15.3935300 0.1048480
7.5255120 0.2045690
3.7154290 0.2852080
1.8064590 0.3014460
0.8529730 0.2462280
0.3847800 0.1390160
D 10 1.00
639.7806000 -0.0002900
192.6742000 -0.0027380
74.8436800 -0.0151110
32.8604800 -0.0556430
15.3935300 -0.1558640
7.5255120 -0.3034890
3.7154290 -0.3062760
1.8064590 0.0333950
0.8529730 0.4000750
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D 10 1.00
639.7806000 -0.0003170
192.6742000 -0.0030560
74.8436800 -0.0167530
32.8604800 -0.0627120
15.3935300 -0.1879800
7.5255120 -0.3720840
3.7154290 -0.0234390
1.8064590 0.6054700
0.8529730 0.3230630
0.3847800 -0.4713720
D 10 1.00
639.7806000 0.0004520
192.6742000 0.0038790
74.8436800 0.0235700
32.8604800 0.0825260
15.3935300 0.2972800
7.5255120 0.4368320
3.7154290 -0.6042900
1.8064590 -0.6746050
0.8529730 0.9387020
0.3847800 0.2779680
D 1 1.00
0.1593370 1.0000000
F 1 1.00
8.6960000 1.0000000
F 1 1.00
2.7236000 1.0000000
F 1 1.00
0.8530000 1.0000000
G 1 1.00
6.8933000 1.0000000
G 1 1.00
2.0693000 1.0000000
H 1 1.00
4.4136000 1.0000000
****
Ga 0
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18.1340000 0.0223871
9.0430000 -0.0720254
4.4500000 -0.1626429
2.1661000 -0.1496503
0.9962800 0.1064517
P 1 1.00
0.4544300 1.0000000
P 1 1.00
0.1940400 1.0000000
P 1 1.00
0.0789970 1.0000000
D 9 1.00
1289.6000000 0.0001190
389.7500000 0.0011551
151.7600000 0.0067648
67.2230000 0.0273017
31.9130000 0.0809298
15.8570000 0.1794011
8.0545000 0.2840086
4.0887000 0.3266797
2.0556000 0.2584900
D 1 1.00
0.9950900 1.0000000
D 1 1.00
0.4231300 1.0000000
D 1 1.00
0.1779000 1.0000000
F 1 1.00
0.3407000 1.0000000
F 1 1.00
0.8257000 1.0000000
G 1 1.00
0.6491000 1.0000000
****
Kr 0
S 18 1.00
18226108.0000000 0.0000032
2728802.5000000 0.0000252
620997.7100000 0.0001328
175899.5800000 0.0005607
57387.4970000 0.0020401
20717.1810000 0.0066235
8078.8899000 0.0194996
3349.5170000 0.0519364
1459.7812000 0.1221166
662.8939100 0.2383653
311.3921500 0.3407051
149.9375100 0.2792855
72.4982490 0.0840992
35.5693540 0.0025042
17.7666330 0.0013574
8.7123830 -0.0006591
4.1449710 0.0002701
1.9696490 -0.0001436
S 18 1.00
18226108.0000000 -0.0000010
2728802.5000000 -0.0000079
620997.7100000 -0.0000418
175899.5800000 -0.0001766
57387.4970000 -0.0006434
20717.1810000 -0.0020999
8078.8899000 -0.0062453
3349.5170000 -0.0170804
1459.7812000 -0.0423815
662.8939100 -0.0928679
311.3921500 -0.1657390
149.9375100 -0.1955088
72.4982490 -0.0016409
35.5693540 0.4530071
17.7666330 0.5370751
8.7123830 0.1528971
4.1449710 0.0057411
1.9696490 0.0017414
S 18 1.00
18226108.0000000 0.0000004
2728802.5000000 0.0000032
620997.7100000 0.0000168
175899.5800000 0.0000709
57387.4970000 0.0002582
20717.1810000 0.0008433
8078.8899000 0.0025115
3349.5170000 0.0068921
1459.7812000 0.0172220
662.8939100 0.0383159
311.3921500 0.0705438
149.9375100 0.0880717
72.4982490 0.0006328
35.5693540 -0.2881065
17.7666330 -0.5049797
8.7123830 -0.0267773
4.1449710 0.7098718
1.9696490 0.5158020
S 18 1.00
18226108.0000000 -0.0000001
2728802.5000000 -0.0000010
620997.7100000 -0.0000053
175899.5800000 -0.0000226
57387.4970000 -0.0000823
20717.1810000 -0.0002684
8078.8899000 -0.0008014
3349.5170000 -0.0021937
1459.7812000 -0.0055074
662.8939100 -0.0122266
311.3921500 -0.0227617
149.9375100 -0.0283606
72.4982490 -0.0007565
35.5693540 0.1001365
17.7666330 0.1815332
8.7123830 0.0111867
4.1449710 -0.3575843
1.9696490 -0.4572305
S 1 1.00
0.6799520 1.0000000
S 1 1.00
0.3245020 1.0000000
S 1 1.00
0.1374410 1.0000000
P 13 1.00
28600.8310000 0.0000605
6770.9912000 0.0005378
2199.0489000 0.0030934
841.1795700 0.0135150
356.7663300 0.0470959
162.6362000 0.1296200
77.9660350 0.2661108
38.6614890 0.3678058
19.5767910 0.2740372
9.7917610 0.0787113
4.8353830 0.0049842
2.3681250 0.0012267
1.0899960 -0.0002448
P 13 1.00
28600.8310000 -0.0000246
6770.9912000 -0.0002192
2199.0489000 -0.0012628
841.1795700 -0.0055756
356.7663300 -0.0197546
162.6362000 -0.0564488
77.9660350 -0.1214923
38.6614890 -0.1794907
19.5767910 -0.0962314
9.7917610 0.2163190
4.8353830 0.4899721
2.3681250 0.3726758
1.0899960 0.0750088
P 13 1.00
28600.8310000 0.0000067
6770.9912000 0.0000596
2199.0489000 0.0003432
841.1795700 0.0015190
356.7663300 0.0053881
162.6362000 0.0154935
77.9660350 0.0335176
38.6614890 0.0501911
19.5767910 0.0244550
9.7917610 -0.0752953
4.8353830 -0.1760534
2.3681250 -0.1570724
1.0899960 0.1304579
P 1 1.00
0.5045880 1.0000000
P 1 1.00
0.2184550 1.0000000
P 1 1.00
0.0899590 1.0000000
D 9 1.00
1437.7792000 0.0001108
434.2684600 0.0010828
168.9269900 0.0064065
74.7775350 0.0262379
35.5160240 0.0788235
17.6710510 0.1770677
9.0046110 0.2839622
4.5947730 0.3294702
2.3264860 0.2589001
D 1 1.00
1.1332470 1.0000000
D 1 1.00
0.4813070 1.0000000
D 1 1.00
0.2053000 1.0000000
F 1 1.00
0.4130000 1.0000000
F 1 1.00
0.9557000 1.0000000
G 1 1.00
0.7395000 1.0000000
****
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