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          RUNTYP=MAKEFP EFFECTIVE FRAGMENT POTENTIAL DATA FOLLOWS...
          FRAGNAMEEFP GENERATED AT Tue Mar 27 16:14:27 2012
 $H2O
EFP DATA FOR FRAGNAME SCFTYP=RHF   ... GENERATED WITH BASIS SET=6-311++G(3df,2p)
 COORDINATES (BOHR)
A01O1      0.0000000000   0.1191094785   0.0000000000  15.9949100  8.0
A02H2     -1.4223059670  -0.9451766865   0.0000000000   1.0078250  1.0
A03H3      1.4223059670  -0.9451766865   0.0000000000   1.0078250  1.0
BO21      -0.7111529835  -0.4130336040   0.0000000000   0.0000000  0.0
BO31       0.7111529835  -0.4130336040   0.0000000000   0.0000000  0.0
 STOP
 MONOPOLES 
A01O1     -8.4173680991   8.00000
A02H2     -0.3512187169   1.00000
A03H3     -0.3512187169   1.00000
BO21      -0.4400972335   0.00000
BO31      -0.4400972335   0.00000
 STOP
 DIPOLES 
A01O1       0.0000000000   -0.4127062480    0.0000000000
A02H2      -0.0027268078   -0.0014022974    0.0000000000
A03H3       0.0027268078   -0.0014022974    0.0000000000
BO21        0.2657818726    0.2358863756    0.0000000000
BO31       -0.2657818726    0.2358863756    0.0000000000
 STOP
 QUADRUPOLES 
A01O1      -3.7495006512   -4.1291495807   -4.6378678881    0.0000000000 >
            0.0000000000    0.0000000000
A02H2      -0.1692608571   -0.1690206886   -0.1691689065    0.0000353147 >
            0.0000000000    0.0000000000
A03H3      -0.1692608571   -0.1690206886   -0.1691689065   -0.0000353147 >
            0.0000000000    0.0000000000
BO21       -0.1924885465   -0.1846098691   -0.1848031216   -0.0092326484 >
            0.0000000000    0.0000000000
BO31       -0.1924885465   -0.1846098691   -0.1848031216    0.0092326484 >
            0.0000000000    0.0000000000
 STOP
 OCTUPOLES  
A01O1       0.0000000000   -1.0017712994    0.0000000000   -0.3012532793 >
            0.0000000000    0.0000000000    0.0000000000    0.0000000000 >
           -0.3304258976    0.0000000000
A02H2      -0.0011623499   -0.0005685770    0.0000000000   -0.0001715688 >
            0.0000000000   -0.0003501195    0.0000000000   -0.0003998870 >
           -0.0002082332    0.0000000000
A03H3       0.0011623499   -0.0005685770    0.0000000000   -0.0001715688 >
            0.0000000000    0.0003501195    0.0000000000    0.0003998870 >
           -0.0002082332    0.0000000000
BO21        0.6405629452    0.5638506515    0.0000000000    0.2088443825 >
            0.0000000000    0.2236371522    0.0000000000    0.2011226630 >
            0.1831196699    0.0000000000
BO31       -0.6405629452    0.5638506515    0.0000000000    0.2088443825 >
            0.0000000000   -0.2236371522    0.0000000000   -0.2011226630 >
            0.1831196699    0.0000000000
 STOP
 POLARIZABLE POINTS
CT1  -0.7491370634  -0.4890369778   0.0000000020
    2.6629294234    1.7670590537    0.7812922107    1.2832534969 >
   -0.0000000037   -0.0000000033    1.1482095947   -0.0000000144 >
   -0.0000000132
CT2   0.7491370628  -0.4890369781   0.0000000040
    2.6629294254    1.7670590567    0.7812922113   -1.2832535009 >
    0.0000000076   -0.0000000067   -1.1482095971    0.0000000195 >
   -0.0000000177
CT3   0.0000000011   0.3892153728  -0.4957986131
    1.4502428775    1.8574126776    2.7113709049    0.0000000046 >
   -0.0000000029   -0.9972382204    0.0000000048   -0.0000000034 >
   -1.0913249895
CT4  -0.0000000005   0.3892153799   0.4957986071
    1.4502428978    1.8574127185    2.7113708742   -0.0000000023 >
   -0.0000000009    0.9972382303   -0.0000000024   -0.0000000017 >
    1.0913250020
 STOP
 DYNAMIC POLARIZABLE POINTS
CT  1  -0.7491370634  -0.4890369778   0.0000000020 -- FOR W= 0.002792I A.U.
    2.6628308299    1.7669791294    0.7812438048    1.2832888412 >
   -0.0000000037   -0.0000000033    1.1481267309   -0.0000000048 >
   -0.0000000043
CT  2   0.7491370628  -0.4890369781   0.0000000040
    2.6628308302    1.7669791324    0.7812438054   -1.2832888436 >
    0.0000000076   -0.0000000067   -1.1481267333    0.0000000100 >
   -0.0000000088
CT  3   0.0000000011   0.3892153728  -0.4957986131
    1.4502961928    1.8573844595    2.7113515087    0.0000000047 >
   -0.0000000026   -0.9971988742    0.0000000048   -0.0000000034 >
   -1.0912918146
CT  4  -0.0000000005   0.3892153799   0.4957986071
    1.4502962132    1.8573845004    2.7113514703   -0.0000000023 >
   -0.0000000013    0.9971988842   -0.0000000024   -0.0000000017 >
    1.0912918276
CT  1  -0.7491370634  -0.4890369778   0.0000000020 -- FOR W= 0.015107I A.U.
    2.6615305226    1.7661313020    0.7811281985    1.2823685943 >
   -0.0000000037   -0.0000000033    1.1470482318   -0.0000000048 >
   -0.0000000043
CT  2   0.7491370628  -0.4890369781   0.0000000040
    2.6615305229    1.7661313050    0.7811281990   -1.2823685966 >
    0.0000000076   -0.0000000067   -1.1470482342    0.0000000099 >
   -0.0000000087
CT  3   0.0000000011   0.3892153728  -0.4957986131
    1.4497970009    1.8563505236    2.7090832596    0.0000000046 >
   -0.0000000026   -0.9962755135    0.0000000048   -0.0000000034 >
   -1.0896271361
CT  4  -0.0000000005   0.3892153799   0.4957986071
    1.4497970213    1.8563505645    2.7090832212   -0.0000000023 >
   -0.0000000013    0.9962755234   -0.0000000024   -0.0000000017 >
    1.0896271491
CT  1  -0.7491370634  -0.4890369778   0.0000000020 -- FOR W= 0.039002I A.U.
    2.6539362778    1.7611880323    0.7804535156    1.2769976670 >
   -0.0000000037   -0.0000000032    1.1407711978   -0.0000000048 >
   -0.0000000042
CT  2   0.7491370628  -0.4890369781   0.0000000040
    2.6539362781    1.7611880353    0.7804535162   -1.2769976693 >
    0.0000000075   -0.0000000066   -1.1407712002    0.0000000098 >
   -0.0000000087
CT  3   0.0000000011   0.3892153728  -0.4957986131
    1.4468795665    1.8503295646    2.6959157269    0.0000000046 >
   -0.0000000026   -0.9909029890    0.0000000047   -0.0000000034 >
   -1.0799936502
CT  4  -0.0000000005   0.3892153799   0.4957986071
    1.4468795867    1.8503296052    2.6959156888   -0.0000000023 >
   -0.0000000013    0.9909029989   -0.0000000024   -0.0000000017 >
    1.0799936631
CT  1  -0.7491370634  -0.4890369778   0.0000000020 -- FOR W= 0.077996I A.U.
    2.6275817573    1.7441406649    0.7781169114    1.2584071663 >
   -0.0000000036   -0.0000000032    1.1192712871   -0.0000000046 >
   -0.0000000041
CT  2   0.7491370628  -0.4890369781   0.0000000040
    2.6275817576    1.7441406678    0.7781169120   -1.2584071686 >
    0.0000000075   -0.0000000065   -1.1192712894    0.0000000095 >
   -0.0000000084
CT  3   0.0000000011   0.3892153728  -0.4957986131
    1.4367285195    1.8296625938    2.6512372720    0.0000000046 >
   -0.0000000026   -0.9725215870    0.0000000046   -0.0000000032 >
   -1.0476939757
CT  4  -0.0000000005   0.3892153799   0.4957986071
    1.4367285394    1.8296626336    2.6512372348   -0.0000000023 >
   -0.0000000013    0.9725215968   -0.0000000023   -0.0000000016 >
    1.0476939882
CT  1  -0.7491370634  -0.4890369778   0.0000000020 -- FOR W= 0.138651I A.U.
    2.5553079411    1.6981769397    0.7717066853    1.2078163989 >
   -0.0000000035   -0.0000000031    1.0624555191   -0.0000000042 >
   -0.0000000038
CT  2   0.7491370628  -0.4890369781   0.0000000040
    2.5553079414    1.6981769425    0.7717066858   -1.2078164010 >
    0.0000000073   -0.0000000063   -1.0624555213    0.0000000086 >
   -0.0000000077
CT  3   0.0000000011   0.3892153728  -0.4957986131
    1.4086698540    1.7746812981    2.5359560680    0.0000000044 >
   -0.0000000025   -0.9240984533    0.0000000044   -0.0000000029 >
   -0.9671757611
CT  4  -0.0000000005   0.3892153799   0.4957986071
    1.4086698728    1.7746813358    2.5359560333   -0.0000000022 >
   -0.0000000012    0.9240984627   -0.0000000022   -0.0000000015 >
    0.9671757726
CT  1  -0.7491370634  -0.4890369778   0.0000000020 -- FOR W= 0.233223I A.U.
    2.3846090081    1.5932828107    0.7560609134    1.0906983270 >
   -0.0000000033   -0.0000000028    0.9392812055   -0.0000000034 >
   -0.0000000032
CT  2   0.7491370628  -0.4890369781   0.0000000040
    2.3846090083    1.5932828131    0.7560609140   -1.0906983290 >
    0.0000000068   -0.0000000057   -0.9392812074    0.0000000070 >
   -0.0000000065
CT  3   0.0000000011   0.3892153728  -0.4957986131
    1.3409822403    1.6531124061    2.2961184044    0.0000000040 >
   -0.0000000023   -0.8198553708    0.0000000038   -0.0000000024 >
   -0.8131114788
CT  4  -0.0000000005   0.3892153799   0.4957986071
    1.3409822569    1.6531124392    2.2961183746   -0.0000000020 >
   -0.0000000012    0.8198553792   -0.0000000019   -0.0000000012 >
    0.8131114885
CT  1  -0.7491370634  -0.4890369778   0.0000000020 -- FOR W= 0.385897I A.U.
    2.0400182409    1.3904465854    0.7188935711    0.8654212717 >
   -0.0000000028   -0.0000000023    0.7274286833   -0.0000000025 >
   -0.0000000023
CT  2   0.7491370628  -0.4890369781   0.0000000040
    2.0400182410    1.3904465874    0.7188935716   -0.8654212733 >
    0.0000000058   -0.0000000046   -0.7274286847    0.0000000051 >
   -0.0000000048
CT  3   0.0000000011   0.3892153728  -0.4957986131
    1.1969753812    1.4313263542    1.8965965364    0.0000000031 >
   -0.0000000020   -0.6425515837    0.0000000029   -0.0000000018 >
   -0.5966225133
CT  4  -0.0000000005   0.3892153799   0.4957986071
    1.1969753935    1.4313263798    1.8965965143   -0.0000000016 >
   -0.0000000010    0.6425515906   -0.0000000015   -0.0000000009 >
    0.5966225205
CT  1  -0.7491370634  -0.4890369778   0.0000000020 -- FOR W= 0.649114I A.U.
    1.4855378731    1.0648209020    0.6294652875    0.5406348664 >
   -0.0000000021   -0.0000000016    0.4572294577   -0.0000000017 >
   -0.0000000015
CT  2   0.7491370628  -0.4890369781   0.0000000040
    1.4855378731    1.0648209034    0.6294652880   -0.5406348674 >
    0.0000000043   -0.0000000033   -0.4572294587    0.0000000036 >
   -0.0000000031
CT  3   0.0000000011   0.3892153728  -0.4957986131
    0.9375153996    1.0967796799    1.3638653801    0.0000000020 >
   -0.0000000015   -0.4171575929    0.0000000018   -0.0000000012 >
   -0.3749219228
CT  4  -0.0000000005   0.3892153799   0.4957986071
    0.9375154063    1.0967796963    1.3638653672   -0.0000000010 >
   -0.0000000007    0.4171575978   -0.0000000009   -0.0000000006 >
    0.3749219274
CT  1  -0.7491370634  -0.4890369778   0.0000000020 -- FOR W= 1.153904I A.U.
    0.8310946525    0.6448294095    0.4433225848    0.2347751215 >
   -0.0000000012   -0.0000000009    0.2135922210   -0.0000000011 >
   -0.0000000008
CT  2   0.7491370628  -0.4890369781   0.0000000040
    0.8310946525    0.6448294103    0.4433225850   -0.2347751219 >
    0.0000000024   -0.0000000018   -0.2135922215    0.0000000023 >
   -0.0000000017
CT  3   0.0000000011   0.3892153728  -0.4957986131
    0.5720612668    0.6675071517    0.7867028267    0.0000000009 >
   -0.0000000008   -0.2067797188    0.0000000009   -0.0000000008 >
   -0.1924478532
CT  4  -0.0000000005   0.3892153799   0.4957986071
    0.5720612691    0.6675071599    0.7867028210   -0.0000000004 >
   -0.0000000004    0.2067797214   -0.0000000004   -0.0000000004 >
    0.1924478558
CT  1  -0.7491370634  -0.4890369778   0.0000000020 -- FOR W= 2.307592I A.U.
    0.3063042207    0.2574225216    0.1982295724    0.0639106585 >
   -0.0000000004   -0.0000000003    0.0644133169   -0.0000000005 >
   -0.0000000003
CT  2   0.7491370628  -0.4890369781   0.0000000040
    0.3063042207    0.2574225219    0.1982295725   -0.0639106586 >
    0.0000000008   -0.0000000006   -0.0644133171    0.0000000010 >
   -0.0000000007
CT  3   0.0000000011   0.3892153728  -0.4957986131
    0.2269669328    0.2635846160    0.3064056585    0.0000000003 >
   -0.0000000003   -0.0683987525    0.0000000003   -0.0000000003 >
   -0.0670996294
CT  4  -0.0000000005   0.3892153799   0.4957986071
    0.2269669333    0.2635846188    0.3064056567   -0.0000000001 >
   -0.0000000001    0.0683987534   -0.0000000001   -0.0000000002 >
    0.0670996305
CT  1  -0.7491370634  -0.4890369778   0.0000000020 -- FOR W= 5.957643I A.U.
    0.0571198024    0.0507131811    0.0417294990    0.0090376652 >
   -0.0000000001   -0.0000000001    0.0096158579   -0.0000000001 >
   -0.0000000001
CT  2   0.7491370628  -0.4890369781   0.0000000040
    0.0571198024    0.0507131811    0.0417294990   -0.0090376653 >
    0.0000000001   -0.0000000001   -0.0096158580    0.0000000002 >
   -0.0000000001
CT  3   0.0000000011   0.3892153728  -0.4957986131
    0.0454708004    0.0521174139    0.0607803826    0.0000000000 >
   -0.0000000001   -0.0119427874    0.0000000001   -0.0000000001 >
   -0.0118954262
CT  4  -0.0000000005   0.3892153799   0.4957986071
    0.0454708005    0.0521174144    0.0607803822    0.0000000000 >
    0.0000000000    0.0119427876    0.0000000000    0.0000000000 >
    0.0118954264
CT  1  -0.7491370634  -0.4890369778   0.0000000020 -- FOR W=32.239080I A.U.
    0.0021417139    0.0019347819    0.0016331619    0.0002997813 >
    0.0000000000    0.0000000000    0.0003226353    0.0000000000 >
    0.0000000000
CT  2   0.7491370628  -0.4890369781   0.0000000040
    0.0021417139    0.0019347819    0.0016331619   -0.0002997813 >
    0.0000000000    0.0000000000   -0.0003226353    0.0000000000 >
    0.0000000000
CT  3   0.0000000011   0.3892153728  -0.4957986131
    0.0017902720    0.0020432992    0.0023747519    0.0000000000 >
    0.0000000000   -0.0004422681    0.0000000000    0.0000000000 >
   -0.0004420475
CT  4  -0.0000000005   0.3892153799   0.4957986071
    0.0017902720    0.0020432992    0.0023747519    0.0000000000 >
    0.0000000000    0.0004422681    0.0000000000    0.0000000000 >
    0.0004420475
 STOP
 PROJECTION BASIS SET
A01O1        0.0000000000   0.1191094785   0.0000000000    6.0
   S          6
     1      8588.5000000000     1.20501289
     2      1297.2300000000     2.21620477
     3       299.2960000000     3.62745250
     4        87.3771000000     4.88845231
     5        25.6789000000     4.83572052
     6         3.7400400000     0.53822949
   L          3
     7        42.1175000000     1.34195780     5.58401753
     8         9.6283700000     3.58711431     5.73336569
     9         2.8533200000    -0.00512347     4.33295474
   L          1
    10         0.9056610000     0.66165918     1.25935210
   L          1
    11         0.2556110000     0.25620922     0.25906844
   L          1
    12         0.0845000000     0.11169986     0.06493980
   D          1
    13         5.1680000000    29.15572464
   D          1
    14         1.2920000000     2.57702633
   D          1
    15         0.3230000000     0.22777910
   F          1
    16         1.4000000000     3.13864741
  
A02H2       -1.4223059670  -0.9451766865   0.0000000000    1.0
   S          3
    17        33.8650000000     0.25506932
    18         5.0947900000     0.46010866
    19         1.1587900000     0.67832145
   S          1
    20         0.3258400000     0.30737135
   S          1
    21         0.1027410000     0.12933556
   S          1
    22         0.0360000000     0.05890294
   P          1
    23         1.5000000000     2.36621477
   P          1
    24         0.3750000000     0.41829163
  
A03H3        1.4223059670  -0.9451766865   0.0000000000    1.0
   S          3
    25        33.8650000000     0.25506932
    26         5.0947900000     0.46010866
    27         1.1587900000     0.67832145
   S          1
    28         0.3258400000     0.30737135
   S          1
    29         0.1027410000     0.12933556
   S          1
    30         0.0360000000     0.05890294
   P          1
    31         1.5000000000     2.36621477
   P          1
    32         0.3750000000     0.41829163
  
 STOP
 MULTIPLICITY    1
 STOP
 PROJECTION WAVEFUNCTION    4  65
 1  1-5.05028060E-02-8.96007592E-02-1.64436933E-01-1.25432643E-01 9.01096238E-10
 1  2 2.38840429E-01-2.44752246E-01-1.90392291E-01 1.34642888E-09 1.16480804E-01
 1  3-1.11251074E-01-1.20577903E-01 1.27933818E-09-1.95806755E-02-7.04029141E-03
 1  4-1.78887586E-02 2.39862309E-10-3.65025450E-03-3.53828179E-03-4.95391577E-03
 1  5 2.26173348E-03 0.00000000E+00-3.31913265E-12-8.02974463E-03-4.28815901E-03
 1  6-2.10687637E-02 1.92649506E-02 0.00000000E+00-4.11201623E-11-3.37543102E-02
 1  7-1.26128911E-02-2.30393466E-02-6.58581935E-03 0.00000000E+00-7.36703284E-11
 1  8-6.29053161E-03-3.48327085E-03 4.43128321E-12-3.98317166E-03 2.84620798E-11
 1  9-1.45518639E-03 1.78139485E-11 1.35760624E-03 1.12938441E-03 0.00000000E+00
 1 10 1.93015410E-01 2.99444779E-01 6.61631627E-02-1.09251953E-03 1.46234603E-02
 1 11 1.01069903E-02 3.76705059E-11 4.45010740E-02 3.16758830E-02 6.51568662E-11
 1 12-1.61847713E-02-5.85492715E-02-1.88699889E-02 6.06526658E-04-4.65363673E-03
 1 13-5.02423910E-03 3.76705059E-11 1.60223811E-03-1.43807194E-02 6.51568662E-11
 2  1 5.05028059E-02 8.96007591E-02-1.64436933E-01 1.25432643E-01-1.85007287E-09
 2  2-2.38840429E-01-2.44752246E-01 1.90392291E-01-2.76440123E-09-1.16480803E-01
 2  3-1.11251074E-01 1.20577903E-01-2.62665491E-09 1.95806756E-02-7.04029141E-03
 2  4 1.78887586E-02-4.92469874E-10 3.65025449E-03 3.53828178E-03 4.95391577E-03
 2  5 2.26173348E-03 0.00000000E+00 6.81462978E-12 8.02974461E-03 4.28815897E-03
 2  6 2.10687637E-02 1.92649506E-02 0.00000000E+00 8.44252738E-11 3.37543101E-02
 2  7 1.26128911E-02 2.30393465E-02-6.58581934E-03 0.00000000E+00 1.51255182E-10
 2  8-6.29053161E-03 3.48327086E-03-9.09802582E-12 3.98317167E-03-5.84365126E-11
 2  9-1.45518639E-03-3.65744540E-11 1.35760624E-03-1.12938441E-03 0.00000000E+00
 2 10 1.61847712E-02 5.85492712E-02 1.88699888E-02-6.06526660E-04-4.65363674E-03
 2 11 5.02423910E-03-7.73426611E-11 1.60223805E-03 1.43807194E-02-1.33775889E-10
 2 12-1.93015410E-01-2.99444780E-01-6.61631627E-02 1.09251953E-03 1.46234603E-02
 2 13-1.01069903E-02-7.73426611E-11 4.45010740E-02-3.16758830E-02-1.33775889E-10
 3  1 6.62153318E-02 1.22074202E-01-5.10009005E-10-1.34345378E-01 2.04679123E-01
 3  2-3.35198358E-01-7.59110786E-10-1.93873371E-01 3.05834018E-01-4.87774285E-01
 3  3-3.45050523E-10-1.44841302E-01 2.90594729E-01-6.88772451E-02-2.18358002E-11
 3  4-2.31502718E-02 5.44834226E-02 6.82923370E-03 7.30106249E-03 6.05234724E-03
 3  5 7.01487445E-12 0.00000000E+00-7.53922978E-04 1.79601088E-02 2.91806393E-02
 3  6 1.92801504E-02 5.97511648E-11 0.00000000E+00-9.34022183E-03 2.25167256E-02
 3  7 4.91504905E-02 3.94697753E-02-2.04262334E-11 0.00000000E+00-1.67338155E-02
 3  8-1.95103844E-11-4.04086307E-03 1.00654195E-03-1.08470720E-03 6.46500705E-03
 3  9-4.51333012E-12 4.04634179E-03 4.21068061E-12 1.83510168E-04 0.00000000E+00
 3 10 1.21565635E-02 8.11644374E-02 3.66828070E-02 1.22433872E-03 7.63402733E-04
 3 11-4.93039362E-03 8.55665110E-03 1.94960866E-02 5.04822337E-03 1.48000288E-02
 3 12 1.21565629E-02 8.11644363E-02 3.66828068E-02 1.22433873E-03-7.63402703E-04
 3 13-4.93039367E-03 8.55665110E-03-1.94960865E-02 5.04822323E-03 1.48000288E-02
 4  1 6.62153319E-02 1.22074202E-01 2.52388278E-10-1.34345381E-01-2.04679121E-01
 4  2-3.35198358E-01 3.75661335E-10-1.93873376E-01-3.05834015E-01-4.87774289E-01
 4  3 1.70755234E-10-1.44841305E-01-2.90594726E-01-6.88772461E-02 1.08058876E-11
 4  4-2.31502723E-02-5.44834220E-02 6.82923373E-03 7.30106253E-03 6.05234724E-03
 4  5-3.47145259E-12 0.00000000E+00 7.53922970E-04 1.79601088E-02 2.91806396E-02
 4  6 1.92801504E-02-2.95690731E-11 0.00000000E+00 9.34022173E-03 2.25167254E-02
 4  7 4.91504909E-02 3.94697755E-02 1.01083350E-11 0.00000000E+00 1.67338153E-02
 4  8 9.65510855E-12-4.04086316E-03-1.00654193E-03-1.08470726E-03-6.46500698E-03
 4  9 2.23351275E-12-4.04634175E-03-2.08374051E-12 1.83510185E-04 0.00000000E+00
 4 10 1.21565643E-02 8.11644391E-02 3.66828076E-02 1.22433874E-03 7.63402849E-04
 4 11-4.93039368E-03-8.55665101E-03 1.94960870E-02 5.04822344E-03-1.48000286E-02
 4 12 1.21565647E-02 8.11644397E-02 3.66828077E-02 1.22433873E-03-7.63402864E-04
 4 13-4.93039365E-03-8.55665101E-03-1.94960871E-02 5.04822351E-03-1.48000286E-02
 FOCK MATRIX ELEMENTS
   -0.9202084588    0.1883945642   -0.9202084584    0.1819831225 >
   -0.1819831230   -0.6746177047    0.1819831210   -0.1819831205 >
   -0.1633796667   -0.6746177035
 LMO CENTROIDS
CT1  -0.7491370634  -0.4890369778   0.0000000020
CT2   0.7491370628  -0.4890369781   0.0000000040
CT3   0.0000000011   0.3892153728  -0.4957986131
CT4  -0.0000000005   0.3892153799   0.4957986071
 STOP
 CANONVEC                      5                      65
 1  1 5.51327534E-01 4.72641007E-01 0.00000000E+00-3.13721980E-03 0.00000000E+00
 1  2 1.01298044E-03 0.00000000E+00 6.45269584E-03 0.00000000E+00-5.98944215E-03
 1  3-1.19325319E-11 2.61448007E-04 0.00000000E+00-6.80879546E-04 0.00000000E+00
 1  4 1.87003338E-04 0.00000000E+00 1.22789884E-03 1.17086931E-03 1.08132804E-03
 1  5 0.00000000E+00 0.00000000E+00 0.00000000E+00 2.02303142E-03 2.11284523E-03
 1  6 2.21994718E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.05419518E-03
 1  7 1.21514961E-03 1.49941156E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00
 1  8 0.00000000E+00-3.14844626E-03 0.00000000E+00-1.52841717E-03 0.00000000E+00
 1  9 0.00000000E+00 0.00000000E+00 0.00000000E+00-1.39307513E-03 0.00000000E+00
 1 10 1.62043454E-04 1.07545096E-03 2.27975352E-04 5.52398860E-05 6.35518219E-06
 1 11-2.30555814E-05 0.00000000E+00 4.31833039E-04 3.07093637E-04 0.00000000E+00
 1 12 1.62043454E-04 1.07545099E-03 2.27975352E-04 5.52398845E-05-6.35518209E-06
 1 13-2.30555816E-05 0.00000000E+00-4.31833045E-04 3.07093643E-04 0.00000000E+00
 2  1-1.12093429E-01-2.02583627E-01 0.00000000E+00-3.72137647E-02 0.00000000E+00
 2  2 5.47915981E-01 0.00000000E+00-6.45963635E-02-3.63272738E-11 5.28986168E-01
 2  3-7.63766142E-11-2.31041269E-02 0.00000000E+00 3.28592808E-02 0.00000000E+00
 2  4-2.08628357E-03 0.00000000E+00-9.75124855E-03-1.00020774E-02-1.06380015E-02
 2  5 0.00000000E+00 0.00000000E+00 0.00000000E+00-2.38215382E-02-2.85337864E-02
 2  6-4.00283177E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00-5.73716380E-02
 2  7-5.43201119E-02-5.86134338E-02 2.84830284E-11 0.00000000E+00 0.00000000E+00
 2  8 0.00000000E+00-7.83131144E-04 1.97398715E-11-3.74980284E-03 0.00000000E+00
 2  9 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.16334418E-03 0.00000000E+00
 2 10 9.28576017E-02 7.43521947E-02-2.15087195E-03-1.27044546E-03 1.05763308E-02
 2 11 6.93086781E-03 0.00000000E+00 9.17063088E-03 5.96693801E-03 0.00000000E+00
 2 12 9.28576017E-02 7.43521948E-02-2.15087195E-03-1.27044548E-03-1.05763308E-02
 2 13 6.93086780E-03 0.00000000E+00-9.17063092E-03 5.96693805E-03 0.00000000E+00
 3  1 0.00000000E+00 1.04833719E-11-2.32548941E-01 0.00000000E+00 0.00000000E+00
 3  2-3.71589080E-11-3.46131946E-01 0.00000000E+00 0.00000000E+00-1.63311472E-10
 3  3-1.57332778E-01 5.52846589E-11 0.00000000E+00-1.17944078E-11-9.95647560E-03
 3  4 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
 3  5 3.19857416E-03 0.00000000E+00 0.00000000E+00 2.28034473E-11 2.37181262E-11
 3  6 2.29901718E-11 2.72447544E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
 3  7 0.00000000E+00 2.81349983E-11-9.31375504E-03 0.00000000E+00 0.00000000E+00
 3  8-8.89615512E-03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
 3  9-2.05794433E-03 0.00000000E+00 1.91994515E-03 0.00000000E+00 0.00000000E+00
 3 10 1.47926867E-01 2.53140021E-01 6.01275181E-02-1.20140708E-03 7.04972985E-03
 3 11 1.06993949E-02 0.00000000E+00 3.25999646E-02 3.25669358E-02 0.00000000E+00
 3 12-1.47926867E-01-2.53140021E-01-6.01275181E-02 1.20140708E-03 7.04972985E-03
 3 13-1.06993949E-02 0.00000000E+00 3.25999646E-02-3.25669358E-02 0.00000000E+00
 4  1 3.61257564E-02 6.94311723E-02 0.00000000E+00-2.57253170E-01 4.11661012E-11
 4  2-1.96452175E-01 0.00000000E+00-3.78813317E-01-1.56214007E-10-4.72394645E-01
 4  3-1.80419853E-11-2.65522630E-01 0.00000000E+00-9.57873859E-02 0.00000000E+00
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65  3 0.00000000E+00 2.17238600E-02 0.00000000E+00-4.13629994E-02 0.00000000E+00
65  4 1.62143078E-03 0.00000000E+00 1.19772252E+00 1.19891189E+00 1.20055066E+00
65  5 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.56157120E+00 1.55818379E+00
65  6 1.55339634E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 7.58875409E-02
65  7 7.76201046E-02 8.51746816E-02 0.00000000E+00 0.00000000E+00 0.00000000E+00
65  8 0.00000000E+00-8.20709688E-03 0.00000000E+00-1.00323090E-02 0.00000000E+00
65  9 0.00000000E+00 0.00000000E+00 0.00000000E+00-2.43995758E-03 0.00000000E+00
65 10-8.13573905E-03 3.26887136E-02 2.35200572E-03 5.32988393E-03-5.39665247E-03
65 11-4.30579792E-03 0.00000000E+00 1.26629153E-02 7.88446024E-03 0.00000000E+00
65 12-8.13573905E-03 3.26887136E-02 2.35200572E-03 5.32988393E-03 5.39665247E-03
65 13-4.30579792E-03 0.00000000E+00-1.26629153E-02 7.88446024E-03 0.00000000E+00
 CANONFOK
  -20.5617458625   -1.3616019881   -0.7318138944   -0.5849984055 >
   -0.5112380373    0.0432554964    0.0717547303    0.2345793808 >
    0.2454943112    0.2455797573    0.2635407974    0.3021661939 >
    0.3097472857    0.6863465193    0.7114696427    0.8003689475 >
    0.8165373144    0.8749390523    1.0511254087    1.0615426340 >
    1.0778733536    1.1915950433    1.2241343223    1.2669419338 >
    1.3295289533    1.3583064629    1.3802104417    1.5421837637 >
    1.8323327538    1.8854097375    2.7903389878    2.9104985875 >
    3.1389643487    3.3867546667    3.4133437052    3.5152920438 >
    3.7438217719    3.8044785244    4.0173772245    4.3366580836 >
    4.4359912089    4.6571041385    5.0907212219    5.1814450301 >
    5.2156256286    5.4412068194    5.5152166347    5.6524675546 >
    5.7047667165    5.9551368249    6.0948217887    6.2373672777 >
    7.3039036079    7.4231589163    7.9774361290   15.0274792188 >
   15.0582409825   15.1002803194   15.4743099268   15.8478809567 >
   17.2180503404   17.3694129799   17.5068818824   19.3589157111 >
   62.9269162019
 STOP
SCREEN2      (FROM VDWSCL=   0.700)
 A01O1      1.000000000   1.995300393
 A02H2      1.000000000   2.343164888
 A03H3      1.000000000   2.344880701
 BO21       1.000000000   3.225057762
 BO31       1.000000000   3.216505597
STOP
SCREEN       (FROM VDWSCL=   0.700)
 A01O1      1.000000000   1.020021626
 A02H2      1.000000000   0.893183530
 A03H3      1.000000000   0.893183174
 BO21       1.000000000  10.000000000
 BO31       1.000000000  10.000000000
STOP
 $END