nwchem-data 6.3+r1-1build1 / usr / share / nwchem / libraries

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/usr/share/nwchem/libraries/ is in nwchem-data 6.3+r1-1build1.

This file is owned by root:root, with mode 0o755.

File Mime Type Owner Mode Size
..
/usr/share/nwchem/libraries/3-21++g text/plain root:root 0o644 12.3 KB
/usr/share/nwchem/libraries/3-21++gs text/plain root:root 0o644 10.6 KB
/usr/share/nwchem/libraries/3-21g text/plain root:root 0o644 52.0 KB
/usr/share/nwchem/libraries/3-21gs text/plain root:root 0o644 9.2 KB
/usr/share/nwchem/libraries/3-21gs_polarization text/plain root:root 0o644 1.1 KB
/usr/share/nwchem/libraries/3-21gsp text/plain root:root 0o644 8.8 KB
/usr/share/nwchem/libraries/4-22gsp text/plain root:root 0o644 11.2 KB
/usr/share/nwchem/libraries/4-31g text/plain root:root 0o644 7.3 KB
/usr/share/nwchem/libraries/6-31++g text/plain root:root 0o644 18.4 KB
/usr/share/nwchem/libraries/6-31++gs text/plain root:root 0o644 20.1 KB
/usr/share/nwchem/libraries/6-31++gss text/plain root:root 0o644 20.2 KB
/usr/share/nwchem/libraries/6-31+gs text/plain root:root 0o644 20.0 KB
/usr/share/nwchem/libraries/6-311++g2d_2p text/plain root:root 0o644 22.4 KB
/usr/share/nwchem/libraries/6-311++g3df_3pd text/plain root:root 0o644 21.0 KB
/usr/share/nwchem/libraries/6-311++gss text/plain root:root 0o644 21.6 KB
/usr/share/nwchem/libraries/6-311+gs text/plain root:root 0o644 21.7 KB
/usr/share/nwchem/libraries/6-311g text/plain root:root 0o644 30.4 KB
/usr/share/nwchem/libraries/6-311g2df_2pd text/plain root:root 0o644 11.8 KB
/usr/share/nwchem/libraries/6-311gs text/plain root:root 0o644 32.2 KB
/usr/share/nwchem/libraries/6-311gs_polarization text/plain root:root 0o644 3.0 KB
/usr/share/nwchem/libraries/6-311gss text/plain root:root 0o644 32.1 KB
/usr/share/nwchem/libraries/6-311gss_polarization text/plain root:root 0o644 2.9 KB
/usr/share/nwchem/libraries/6-31g text/plain root:root 0o644 33.4 KB
/usr/share/nwchem/libraries/6-31g-blaudeau text/plain root:root 0o644 2.9 KB
/usr/share/nwchem/libraries/6-31g3df_3pd text/plain root:root 0o644 18.3 KB
/usr/share/nwchem/libraries/6-31gs text/plain root:root 0o644 35.4 KB
/usr/share/nwchem/libraries/6-31gs-blaudeau text/plain root:root 0o644 3.2 KB
/usr/share/nwchem/libraries/6-31gs_polarization text/plain root:root 0o644 3.3 KB
/usr/share/nwchem/libraries/6-31gss text/plain root:root 0o644 35.6 KB
/usr/share/nwchem/libraries/6-31gss_polarization text/plain root:root 0o644 3.5 KB
/usr/share/nwchem/libraries/ahlrichs_coulomb_fitting text/plain root:root 0o644 81.8 KB
/usr/share/nwchem/libraries/ahlrichs_polarization text/plain root:root 0o644 3.9 KB
/usr/share/nwchem/libraries/ahlrichs_pvdz text/plain root:root 0o644 39.5 KB
/usr/share/nwchem/libraries/ahlrichs_tzv text/plain root:root 0o644 47.2 KB
/usr/share/nwchem/libraries/ahlrichs_vdz text/plain root:root 0o644 37.2 KB
/usr/share/nwchem/libraries/ahlrichs_vtz text/plain root:root 0o644 42.7 KB
/usr/share/nwchem/libraries/ano-rcc text/plain root:root 0o644 1.3 MB
/usr/share/nwchem/libraries/apr-cc-pvq+dz text/plain root:root 0o644 35.7 KB
/usr/share/nwchem/libraries/aug-cc-pcv5z text/plain root:root 0o644 38.2 KB
/usr/share/nwchem/libraries/aug-cc-pcvdz text/plain root:root 0o644 27.0 KB
/usr/share/nwchem/libraries/aug-cc-pcvqz text/plain root:root 0o644 46.2 KB
/usr/share/nwchem/libraries/aug-cc-pcvt+dz text/plain root:root 0o644 12.0 KB
/usr/share/nwchem/libraries/aug-cc-pcvtz text/plain root:root 0o644 36.0 KB
/usr/share/nwchem/libraries/aug-cc-pv5+dz text/plain root:root 0o644 20.8 KB
/usr/share/nwchem/libraries/aug-cc-pv5+dz_diffuse text/plain root:root 0o644 2.5 KB
/usr/share/nwchem/libraries/aug-cc-pv5z text/plain root:root 0o644 184.9 KB
/usr/share/nwchem/libraries/aug-cc-pv5z-dk text/plain root:root 0o644 185.0 KB
/usr/share/nwchem/libraries/aug-cc-pv5z-dk_diffuse text/plain root:root 0o644 12.0 KB
/usr/share/nwchem/libraries/aug-cc-pv5z-pp text/plain root:root 0o644 202.5 KB
/usr/share/nwchem/libraries/aug-cc-pv5z-pp-ri_diffuse text/plain root:root 0o644 12.9 KB
/usr/share/nwchem/libraries/aug-cc-pv5z-pp_diffuse text/plain root:root 0o644 16.6 KB
/usr/share/nwchem/libraries/aug-cc-pv5z-pp_mp2_fitting text/plain root:root 0o644 38.8 KB
/usr/share/nwchem/libraries/aug-cc-pv5z-pp_optri text/plain root:root 0o644 12.4 KB
/usr/share/nwchem/libraries/aug-cc-pv5z-ri_diffuse text/plain root:root 0o644 6.2 KB
/usr/share/nwchem/libraries/aug-cc-pv5z_diffuse text/plain root:root 0o644 11.9 KB
/usr/share/nwchem/libraries/aug-cc-pv5z_optri text/plain root:root 0o644 17.3 KB
/usr/share/nwchem/libraries/aug-cc-pv6+dz text/plain root:root 0o644 23.8 KB
/usr/share/nwchem/libraries/aug-cc-pv6+dz_diffuse text/plain root:root 0o644 2.8 KB
/usr/share/nwchem/libraries/aug-cc-pv6z text/plain root:root 0o644 43.5 KB
/usr/share/nwchem/libraries/aug-cc-pv6z-ri_diffuse text/plain root:root 0o644 6.7 KB
/usr/share/nwchem/libraries/aug-cc-pv6z_diffuse text/plain root:root 0o644 6.1 KB
/usr/share/nwchem/libraries/aug-cc-pvd+dz text/plain root:root 0o644 11.9 KB
/usr/share/nwchem/libraries/aug-cc-pvd+dz_diffuse text/plain root:root 0o644 1.5 KB
/usr/share/nwchem/libraries/aug-cc-pvdz text/plain root:root 0o644 96.1 KB
/usr/share/nwchem/libraries/aug-cc-pvdz-dk text/plain root:root 0o644 96.3 KB
/usr/share/nwchem/libraries/aug-cc-pvdz-dk_diffuse text/plain root:root 0o644 8.1 KB
/usr/share/nwchem/libraries/aug-cc-pvdz-pp text/plain root:root 0o644 71.8 KB
/usr/share/nwchem/libraries/aug-cc-pvdz-pp-ri_diffuse text/plain root:root 0o644 8.7 KB
/usr/share/nwchem/libraries/aug-cc-pvdz-pp_diffuse text/plain root:root 0o644 10.3 KB
/usr/share/nwchem/libraries/aug-cc-pvdz-pp_mp2_fitting text/plain root:root 0o644 21.0 KB
/usr/share/nwchem/libraries/aug-cc-pvdz-pp_optri text/plain root:root 0o644 10.4 KB
/usr/share/nwchem/libraries/aug-cc-pvdz-ri_diffuse text/plain root:root 0o644 5.6 KB
/usr/share/nwchem/libraries/aug-cc-pvdz_diffuse text/plain root:root 0o644 8.0 KB
/usr/share/nwchem/libraries/aug-cc-pvdz_optri text/plain root:root 0o644 13.0 KB
/usr/share/nwchem/libraries/aug-cc-pvq+dz text/plain root:root 0o644 16.9 KB
/usr/share/nwchem/libraries/aug-cc-pvq+dz_diffuse text/plain root:root 0o644 2.2 KB
/usr/share/nwchem/libraries/aug-cc-pvqz text/plain root:root 0o644 151.0 KB
/usr/share/nwchem/libraries/aug-cc-pvqz-dk text/plain root:root 0o644 151.3 KB
/usr/share/nwchem/libraries/aug-cc-pvqz-dk_diffuse text/plain root:root 0o644 11.7 KB
/usr/share/nwchem/libraries/aug-cc-pvqz-pp text/plain root:root 0o644 156.3 KB
/usr/share/nwchem/libraries/aug-cc-pvqz-pp-ri_diffuse text/plain root:root 0o644 11.5 KB
/usr/share/nwchem/libraries/aug-cc-pvqz-pp_diffuse text/plain root:root 0o644 14.5 KB
/usr/share/nwchem/libraries/aug-cc-pvqz-pp_mp2_fitting text/plain root:root 0o644 32.5 KB
/usr/share/nwchem/libraries/aug-cc-pvqz-pp_optri text/plain root:root 0o644 11.7 KB
/usr/share/nwchem/libraries/aug-cc-pvqz-ri_diffuse text/plain root:root 0o644 7.9 KB
/usr/share/nwchem/libraries/aug-cc-pvqz_diffuse text/plain root:root 0o644 11.6 KB
/usr/share/nwchem/libraries/aug-cc-pvqz_optri text/plain root:root 0o644 15.0 KB
/usr/share/nwchem/libraries/aug-cc-pvt+dz text/plain root:root 0o644 14.6 KB
/usr/share/nwchem/libraries/aug-cc-pvt+dz_diffuse text/plain root:root 0o644 1.8 KB
/usr/share/nwchem/libraries/aug-cc-pvtz text/plain root:root 0o644 119.1 KB
/usr/share/nwchem/libraries/aug-cc-pvtz-dk text/plain root:root 0o644 198.2 KB
/usr/share/nwchem/libraries/aug-cc-pvtz-dk_diffuse text/plain root:root 0o644 12.6 KB
/usr/share/nwchem/libraries/aug-cc-pvtz-j text/plain root:root 0o644 67.7 KB
/usr/share/nwchem/libraries/aug-cc-pvtz-pp text/plain root:root 0o644 110.3 KB
/usr/share/nwchem/libraries/aug-cc-pvtz-pp-ri_diffuse text/plain root:root 0o644 10.1 KB
/usr/share/nwchem/libraries/aug-cc-pvtz-pp_diffuse text/plain root:root 0o644 12.4 KB
/usr/share/nwchem/libraries/aug-cc-pvtz-pp_mp2_fitting text/plain root:root 0o644 27.4 KB
/usr/share/nwchem/libraries/aug-cc-pvtz-pp_optri text/plain root:root 0o644 11.7 KB
/usr/share/nwchem/libraries/aug-cc-pvtz-ri_diffuse text/plain root:root 0o644 6.7 KB
/usr/share/nwchem/libraries/aug-cc-pvtz_diffuse text/plain root:root 0o644 9.7 KB
/usr/share/nwchem/libraries/aug-cc-pvtz_mp2_fitting text/plain root:root 0o644 31.9 KB
/usr/share/nwchem/libraries/aug-cc-pvtz_optri text/plain root:root 0o644 13.4 KB
/usr/share/nwchem/libraries/aug-cc-pwcv5z text/plain root:root 0o644 38.3 KB
/usr/share/nwchem/libraries/aug-cc-pwcv5z-dk text/plain root:root 0o644 121.5 KB
/usr/share/nwchem/libraries/aug-cc-pwcv5z-nr text/plain root:root 0o644 121.3 KB
/usr/share/nwchem/libraries/aug-cc-pwcv5z-pp_optri text/plain root:root 0o644 9.8 KB
/usr/share/nwchem/libraries/aug-cc-pwcvdz text/plain root:root 0o644 20.5 KB
/usr/share/nwchem/libraries/aug-cc-pwcvdz-pp_optri text/plain root:root 0o644 9.1 KB
/usr/share/nwchem/libraries/aug-cc-pwcvqz text/plain root:root 0o644 39.9 KB
/usr/share/nwchem/libraries/aug-cc-pwcvqz-dk text/plain root:root 0o644 90.4 KB
/usr/share/nwchem/libraries/aug-cc-pwcvqz-nr text/plain root:root 0o644 90.1 KB
/usr/share/nwchem/libraries/aug-cc-pwcvqz-pp_optri text/plain root:root 0o644 9.1 KB
/usr/share/nwchem/libraries/aug-cc-pwcvtz text/plain root:root 0o644 27.0 KB
/usr/share/nwchem/libraries/aug-cc-pwcvtz-dk text/plain root:root 0o644 150.6 KB
/usr/share/nwchem/libraries/aug-cc-pwcvtz-nr text/plain root:root 0o644 68.0 KB
/usr/share/nwchem/libraries/aug-cc-pwcvtz-pp_optri text/plain root:root 0o644 9.1 KB
/usr/share/nwchem/libraries/aug-mcc-pv5z text/plain root:root 0o644 1.6 KB
/usr/share/nwchem/libraries/aug-mcc-pv6z text/plain root:root 0o644 2.0 KB
/usr/share/nwchem/libraries/aug-mcc-pv7z text/plain root:root 0o644 2.5 KB
/usr/share/nwchem/libraries/aug-mcc-pv8z text/plain root:root 0o644 2.9 KB
/usr/share/nwchem/libraries/aug-mcc-pvqz text/plain root:root 0o644 1.3 KB
/usr/share/nwchem/libraries/aug-mcc-pvtz text/plain root:root 0o644 973 bytes
/usr/share/nwchem/libraries/aug-pc-0 text/plain root:root 0o644 29.6 KB
/usr/share/nwchem/libraries/aug-pc-1 text/plain root:root 0o644 68.3 KB
/usr/share/nwchem/libraries/aug-pc-2 text/plain root:root 0o644 89.4 KB
/usr/share/nwchem/libraries/aug-pc-3 text/plain root:root 0o644 117.0 KB
/usr/share/nwchem/libraries/aug-pc-4 text/plain root:root 0o644 147.2 KB
/usr/share/nwchem/libraries/aug-pcj-0 text/plain root:root 0o644 12.8 KB
/usr/share/nwchem/libraries/aug-pcj-0_2006 text/plain root:root 0o644 12.1 KB
/usr/share/nwchem/libraries/aug-pcj-1 text/plain root:root 0o644 18.0 KB
/usr/share/nwchem/libraries/aug-pcj-1_2006 text/plain root:root 0o644 17.1 KB
/usr/share/nwchem/libraries/aug-pcj-2 text/plain root:root 0o644 21.7 KB
/usr/share/nwchem/libraries/aug-pcj-2_2006 text/plain root:root 0o644 23.0 KB
/usr/share/nwchem/libraries/aug-pcj-3 text/plain root:root 0o644 29.9 KB
/usr/share/nwchem/libraries/aug-pcj-3_2006 text/plain root:root 0o644 31.6 KB
/usr/share/nwchem/libraries/aug-pcj-4 text/plain root:root 0o644 37.8 KB
/usr/share/nwchem/libraries/aug-pcj-4_2006 text/plain root:root 0o644 39.5 KB
/usr/share/nwchem/libraries/aug-pcs-0 text/plain root:root 0o644 16.1 KB
/usr/share/nwchem/libraries/aug-pcs-1 text/plain root:root 0o644 22.6 KB
/usr/share/nwchem/libraries/aug-pcs-2 text/plain root:root 0o644 29.6 KB
/usr/share/nwchem/libraries/aug-pcs-3 text/plain root:root 0o644 41.0 KB
/usr/share/nwchem/libraries/aug-pcs-4 text/plain root:root 0o644 52.8 KB
/usr/share/nwchem/libraries/aug-pv7z text/plain root:root 0o644 18.8 KB
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/usr/share/nwchem/libraries/b2_basis_set_for_zn text/plain root:root 0o644 2.1 KB
/usr/share/nwchem/libraries/basis root:root 0o777
/usr/share/nwchem/libraries/bauschlicher_ano text/plain root:root 0o644 64.1 KB
/usr/share/nwchem/libraries/binning-curtiss_1d_polarization text/plain root:root 0o644 784 bytes
/usr/share/nwchem/libraries/binning-curtiss_df_polarization text/plain root:root 0o644 1.2 KB
/usr/share/nwchem/libraries/binning_curtiss_sv text/plain root:root 0o644 9.2 KB
/usr/share/nwchem/libraries/binning_curtiss_svp text/plain root:root 0o644 9.6 KB
/usr/share/nwchem/libraries/binning_curtiss_vtz text/plain root:root 0o644 9.5 KB
/usr/share/nwchem/libraries/binning_curtiss_vtzp text/plain root:root 0o644 10.3 KB
/usr/share/nwchem/libraries/blaudeau_polarization text/plain root:root 0o644 497 bytes
/usr/share/nwchem/libraries/cc-pcv5z text/plain root:root 0o644 45.9 KB
/usr/share/nwchem/libraries/cc-pcv6z text/plain root:root 0o644 50.2 KB
/usr/share/nwchem/libraries/cc-pcv6zold text/plain root:root 0o644 4.2 KB
/usr/share/nwchem/libraries/cc-pcvdz text/plain root:root 0o644 26.8 KB
/usr/share/nwchem/libraries/cc-pcvdz-f12 text/plain root:root 0o644 31.0 KB
/usr/share/nwchem/libraries/cc-pcvdz-f12_optri text/plain root:root 0o644 23.1 KB
/usr/share/nwchem/libraries/cc-pcvdzold text/plain root:root 0o644 11.9 KB
/usr/share/nwchem/libraries/cc-pcvqz text/plain root:root 0o644 46.2 KB
/usr/share/nwchem/libraries/cc-pcvqz-f12 text/plain root:root 0o644 44.1 KB
/usr/share/nwchem/libraries/cc-pcvqz-f12_optri text/plain root:root 0o644 23.5 KB
/usr/share/nwchem/libraries/cc-pcvqzold text/plain root:root 0o644 19.2 KB
/usr/share/nwchem/libraries/cc-pcvtz text/plain root:root 0o644 36.2 KB
/usr/share/nwchem/libraries/cc-pcvtz-f12 text/plain root:root 0o644 36.7 KB
/usr/share/nwchem/libraries/cc-pcvtz-f12_optri text/plain root:root 0o644 22.7 KB
/usr/share/nwchem/libraries/cc-pcvtzold text/plain root:root 0o644 15.6 KB
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/usr/share/nwchem/libraries/cc-pv5z text/plain root:root 0o644 189.0 KB
/usr/share/nwchem/libraries/cc-pv5z-dk text/plain root:root 0o644 184.1 KB
/usr/share/nwchem/libraries/cc-pv5z-pp text/plain root:root 0o644 187.6 KB
/usr/share/nwchem/libraries/cc-pv5z-pp-ri text/plain root:root 0o644 83.4 KB
/usr/share/nwchem/libraries/cc-pv5z-pp_mp2_fitting text/plain root:root 0o644 57.4 KB
/usr/share/nwchem/libraries/cc-pv5z-ri text/plain root:root 0o644 40.5 KB
/usr/share/nwchem/libraries/cc-pv5zfi_sf_fw text/plain root:root 0o644 70.4 KB
/usr/share/nwchem/libraries/cc-pv5zfi_sf_lc text/plain root:root 0o644 70.4 KB
/usr/share/nwchem/libraries/cc-pv5zfi_sf_sc text/plain root:root 0o644 70.4 KB
/usr/share/nwchem/libraries/cc-pv5zpt_sf_fw text/plain root:root 0o644 70.4 KB
/usr/share/nwchem/libraries/cc-pv5zpt_sf_lc text/plain root:root 0o644 70.4 KB
/usr/share/nwchem/libraries/cc-pv5zpt_sf_sc text/plain root:root 0o644 70.4 KB
/usr/share/nwchem/libraries/cc-pv6+dz text/plain root:root 0o644 21.3 KB
/usr/share/nwchem/libraries/cc-pv6+dz-ri text/plain root:root 0o644 20.3 KB
/usr/share/nwchem/libraries/cc-pv6z text/plain root:root 0o644 38.0 KB
/usr/share/nwchem/libraries/cc-pv6z-ri text/plain root:root 0o644 39.8 KB
/usr/share/nwchem/libraries/cc-pv8z text/plain root:root 0o644 6.1 KB
/usr/share/nwchem/libraries/cc-pv9z text/plain root:root 0o644 4.4 KB
/usr/share/nwchem/libraries/cc-pvd+dz text/plain root:root 0o644 10.7 KB
/usr/share/nwchem/libraries/cc-pvd+dz-ri text/plain root:root 0o644 8.3 KB
/usr/share/nwchem/libraries/cc-pvdz text/plain root:root 0o644 92.3 KB
/usr/share/nwchem/libraries/cc-pvdz-dk text/plain root:root 0o644 89.7 KB
/usr/share/nwchem/libraries/cc-pvdz-f12 text/plain root:root 0o644 29.7 KB
/usr/share/nwchem/libraries/cc-pvdz-f12_optri text/plain root:root 0o644 15.5 KB
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/usr/share/nwchem/libraries/cc-pvdz-pp text/plain root:root 0o644 63.2 KB
/usr/share/nwchem/libraries/cc-pvdz-pp-ri text/plain root:root 0o644 35.6 KB
/usr/share/nwchem/libraries/cc-pvdz-pp_mp2_fitting text/plain root:root 0o644 28.8 KB
/usr/share/nwchem/libraries/cc-pvdz-ri text/plain root:root 0o644 29.6 KB
/usr/share/nwchem/libraries/cc-pvdzfi_sf_fw text/plain root:root 0o644 39.0 KB
/usr/share/nwchem/libraries/cc-pvdzfi_sf_lc text/plain root:root 0o644 39.0 KB
/usr/share/nwchem/libraries/cc-pvdzfi_sf_sc text/plain root:root 0o644 39.0 KB
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/usr/share/nwchem/libraries/cc-pvdzpt_sf_lc text/plain root:root 0o644 39.0 KB
/usr/share/nwchem/libraries/cc-pvdzpt_sf_sc text/plain root:root 0o644 39.0 KB
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/usr/share/nwchem/libraries/cc-pvt+dz text/plain root:root 0o644 13.1 KB
/usr/share/nwchem/libraries/cc-pvt+dz-dk text/plain root:root 0o644 11.5 KB
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/usr/share/nwchem/libraries/cc-pvtz text/plain root:root 0o644 114.5 KB
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