data GW100
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c481540031
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100
Data/GW100.dat
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100
Data/GW100.dat
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10028-15-6 "Ozone"
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100-41-4 "Ethylbenzene"
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10043-11-5 "Boron nitride"
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106-97-8 "Butane"
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108-88-3 "Toluene"
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108-95-2 "Phenol"
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110-86-1 "Pyridine"
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12184-80-4 "Tetracarbon"
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12184-83-7 "Cesium dimer"
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12185-09-0 "Phosphorus dimer"
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12187-06-3 "Silver dimer"
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12190-70-4 "Copper dimer"
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124-38-9 "Carbon dioxide"
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1304-56-9 "Beryllium oxide"
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1309-48-4 "Magnesium oxide"
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13283-31-3 "Borane"
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1333-74-0 "Hydrogen"
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13768-60-0 "Boron fluoride"
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14452-59-6 "Lithium dimer"
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14868-53-2 "Pentasilane"
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1590-87-0 "Disilane"
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1603-84-5 "Carbonyl selenide"
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17108-85-9 "Gallium monochloride"
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17739-47-8 "Phosphorus mononitride"
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19287-45-7 "Diborane"
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23878-46-8 "Arsenic dimer"
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25681-79-2 "Disodium"
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25681-80-5 "Dipotassium"
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25681-81-6 "Dirubidium"
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302-01-2 "Hydrazine"
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392-56-3 "Hexafluorobenzene"
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39297-86-4 "Sodium tetramer"
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39297-88-6 "Sodium hexamer"
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463-58-1 "Carbonyl sulfide"
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50-00-0 "Formaldehyde"
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507-25-5 "Tetraiodomethane"
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542-92-7 "1,3-Cyclopentadiene"
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544-92-3 "Copper cyanide"
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558-13-4 "Carbon tetrabromide"
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56-23-5 "Carbon tetrachloride"
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57-13-6 "Urea"
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593-60-2 "Vinyl bromide"
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593-66-8 "Iodoethene"
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60-29-7 "Ethyl ether"
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62-53-3 "Aniline"
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629-20-9 "1,3,5,7-Cyclooctatetraene"
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630-08-0 "Carbon monoxide"
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64-17-5 "Ethanol"
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64-18-6 "Formic acid"
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65-71-4 "Thymine"
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66-22-8 "Uracil"
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67-56-1 "Methyl alcohol"
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71-30-7 "Cytosine"
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71-43-2 "Benzene"
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73-24-5 "Adenine"
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73-40-5 "Guanine"
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7439-90-9 "Krypton"
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7440-01-9 "Neon"
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7440-37-1 "Argon"
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7440-59-7 "Helium"
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7446-09-5 "Sulfur dioxide"
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74-82-8 "Methane"
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74-84-0 "Ethane"
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74-85-1 "Ethylene"
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74-86-2 "Acetylene"
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74-90-8 "Hydrogen cyanide"
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74-98-6 "Propane"
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75-01-4 "Chloroethene"
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75-02-5 "Fluoroethene"
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75-07-0 "Acetaldehyde"
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75-15-0 "Carbon disulfide"
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75-19-4 "Cyclopropane"
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7553-56-2 "Iodine"
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75-73-0 "Tetrafluoromethane"
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7580-67-8 "Lithium hydride"
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7647-01-0 "Hydrogen chloride"
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7647-14-5 "Sodium chloride"
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7664-39-3 "Hydrogen fluoride"
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7664-41-7 "Ammonia"
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7693-26-7 "Potassium hydride"
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7722-84-1 "Hydrogen peroxide"
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7726-95-6 "Bromine"
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7727-37-9 "Nitrogen"
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7732-18-5 "Water"
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7758-02-3 "Potassium bromide"
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7782-41-4 "Fluorine"
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7782-50-5 "Chlorine"
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7782-65-2 "Germanium tetrahydride"
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7782-79-8 "Hydrogen azide"
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7783-06-4 "Hydrogen sulfide"
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7783-40-6 "Magnesium fluoride"
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7783-60-0 "Sulfur tetrafluoride"
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7783-63-3 "Titanium tetrafluoride"
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7784-18-1 "Aluminum fluoride"
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7784-23-8 "Aluminum iodide"
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7784-42-1 "Arsine"
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7786-30-3 "Magnesium chloride"
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7789-24-4 "Lithium fluoride"
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7803-51-2 "Phosphine"
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7803-62-5 "Silane"
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100
Data/GW100_CCSDT_def2TZVPP.dat
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100
Data/GW100_CCSDT_def2TZVPP.dat
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10028-15-6 12.547
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100-41-4 8.852
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10043-11-5 11.890
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106-97-8 11.567
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108-88-3 8.899
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108-95-2 8.702
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110-86-1 9.659
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12184-80-4 11.260
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12184-83-7 3.642
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12185-09-0 10.468
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12187-06-3 7.494
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12190-70-4 7.566
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124-38-9 13.711
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1304-56-9 9.944
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1309-48-4 7.487
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13283-31-3 13.276
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1333-74-0 16.403
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13768-60-0 11.086
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14452-59-6 5.266
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14868-53-2 9.273
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1590-87-0 10.645
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1603-84-5 10.785
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17108-85-9 9.771
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17739-47-8 11.735
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19287-45-7 12.263
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23878-46-8 9.781
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25681-79-2 4.952
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25681-80-5 4.061
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25681-81-6 3.925
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302-01-2 9.720
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392-56-3 9.930
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39297-86-4 4.225
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39297-88-6 4.351
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463-58-1 11.173
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50-00-0 10.840
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507-25-5 9.266
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542-92-7 8.675
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544-92-3 10.854
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558-13-4 10.463
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56-23-5 11.558
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57-13-6 10.053
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593-60-2 9.269
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593-66-8 9.327
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60-29-7 9.816
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62-53-3 7.993
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629-20-9 8.348
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630-08-0 14.209
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64-17-5 10.685
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64-18-6 11.421
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65-71-4 9.081
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66-22-8 10.125
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67-56-1 11.042
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71-30-7 9.512
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71-43-2 9.292
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73-24-5 8.330
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73-40-5 8.034
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7439-90-9 13.940
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7440-01-9 21.321
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7440-37-1 15.544
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7440-59-7 24.512
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7446-09-5 13.486
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74-82-8 14.373
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74-84-0 13.040
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74-85-1 10.666
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74-86-2 11.424
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74-90-8 13.869
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74-98-6 12.048
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75-01-4 10.093
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75-02-5 10.554
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75-07-0 10.207
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75-15-0 9.981
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75-19-4 10.865
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7553-56-2 9.509
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75-73-0 16.301
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7580-67-8 7.961
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7647-01-0 12.593
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7647-14-5 9.027
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7664-39-3 16.026
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7664-41-7 10.807
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7693-26-7 6.128
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7722-84-1 11.586
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7726-95-6 10.536
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7727-37-9 15.569
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7732-18-5 12.565
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7758-02-3 8.127
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7782-41-4 15.708
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7782-50-5 11.412
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7782-65-2 12.497
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7782-79-8 10.676
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7783-06-4 10.310
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7783-40-6 13.710
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7783-60-0 12.588
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7783-63-3 15.476
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7784-18-1 15.457
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7784-23-8 9.815
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7784-42-1 10.398
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7786-30-3 11.665
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7789-24-4 11.321
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7803-51-2 10.523
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7803-62-5 12.796
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20
Data/GW20_CCSDT_def2SVP.dat
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20
Data/GW20_CCSDT_def2SVP.dat
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He 24.31
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Ne 21.08
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H2 16.26
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Li2 5.07
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LiH 7.69
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FH 15.60
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Ar 15.20
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H2O 12.07
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LiF 10.76
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HCl 12.15
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BeO 9.98
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CO 13.70
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N2 15.27
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CH4 14.25
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BH3 13.17
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NH3 10.32
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BF 10.82
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BN 11.89
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SH2 9.89
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F2 15.56
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20
Data/GW20_FCI_def2QZVP.dat
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Data/GW20_FCI_def2QZVP.dat
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He -0.290245141573644E+01 -0.199983221740058E+01 -0.0017603275 0.0000000000 -0.0016075754 0.0000000000 -0.0014055012 -0.0000000000
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Ne -0.128843290902963E+03 -0.128054014054796E+03 -0.0261070567 -0.0220193274 -0.0260516773 -0.0220235917 -0.0240706220 -0.0202224351
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H2 -0.117386957876343E+01 -0.570078270019493E+00 -0.0008404882 0.0000000000 -0.0007400917 0.0000000000 -0.0006001446 -0.0000000000
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Li2 -0.149743018613322E+02 -0.147818490104176E+02 -0.0215742208 -0.0209010879 -0.0221606680 -0.0216091568 -0.0203442855 -0.0199619630
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LiH -0.805945428660543E+01 -0.776485774980460E+01 -0.0113134152 -0.0103788654 -0.0115187648 -0.0106880387 -0.0105934203 -0.0098603458
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FH -0.100374887972044E+03 -0.997805628477386E+02 -0.0204666586 -0.0173942554 -0.0194707995 -0.0165535236 -0.0177857810 -0.0149840894
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Ar -0.527076182276265E+03 -0.526498964616051E+03 -0.0207192619 -0.0169643057 -0.0183515298 -0.0149746683 -0.0162404309 -0.0127659157
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H2O -0.763611943070829E+02 -0.758946831399366E+02 -0.0155045073 -0.0131669061 -0.0142213756 -0.0120405378 -0.0128680801 -0.0107393024
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LiF -0.107334584284445E+03 -0.106912534967956E+03 -0.0328019412 -0.0292927813 -0.0317277556 -0.0286593622 -0.0294381943 -0.0263258545
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HCl -0.460365471270705E+03 -0.459897318763960E+03 -0.0155923615 -0.0127700595 -0.0134632910 -0.0109924906 -0.0118392832 -0.0093513827
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BeO -0.898108430367950E+02 -0.894421419810073E+02 -0.0292728524 -0.0267894875 -0.0279828249 -0.0258784985 -0.0261302476 -0.0239527914
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CO -0.113152095777144E+03 -0.112582057523896E+03 -0.0199426322 -0.0175638582 -0.0179906334 -0.0158465064 -0.0162278926 -0.0139043195
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N2 -0.109405000286918E+03 -0.108835288706530E+03 -0.0195421688 -0.0170019935 -0.0175420329 -0.0151856771 -0.0157417212 -0.0130696708
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CH4 -0.404508207923037E+02 -0.399215023220992E+02 -0.0075343133 -0.0065459847 -0.0065741251 -0.0056987231 -0.0059020315 -0.0050497617
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BH3 -0.265454547909627E+02 -0.260565284191991E+02 -0.0040592834 -0.0031211129 -0.0034809782 -0.0026447965 -0.0029474611 -0.0021916575
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NH3 -0.564938902023628E+02 -0.560929951167818E+02 -0.0109055176 -0.0092783797 -0.0096877376 -0.0082277662 -0.0087244825 -0.0072840544
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BF -0.124537661846697E+03 -0.124128725341048E+03 -0.0232577573 -0.0217334545 -0.0219047964 -0.0205610585 -0.0201371235 -0.0188835422
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BN -0.792855020157525E+02 -0.788465751909829E+02 -0.0127350229 -0.0109601344 -0.0111031323 -0.0095588453 -0.0094695359 -0.0079338287
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SH2 -0.398958999333687E+03 -0.398575700946047E+03 -0.0109554902 -0.0088436497 -0.0092568110 -0.0074525138 -0.0081250057 -0.0063744821
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F2 -0.199359924477782E+03 -0.198781332407521E+03 -0.0397412490 -0.0360278925 -0.0379208239 -0.0343422283 -0.0349999189 -0.0314540085
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20
Data/GW20_FCI_def2SVP.dat
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Data/GW20_FCI_def2SVP.dat
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He -0.288693107851319E+01 -0.199362316042290E+01 -0.0119073329 0.0000000000 -0.0123002737 0.0000000000 -0.0111730848 -0.0000000000
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Ne -0.128564952980773E+03 -0.127790044621194E+03 -0.0927119681 -0.0778439482 -0.1149987421 -0.0969787160 -0.1047904755 -0.0882628281
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H2 -0.116335042303176E+01 -0.565928257492448E+00 -0.0058964151 0.0000000000 -0.0053214663 0.0000000000 -0.0043813303 -0.0000000000
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Li2 -0.148874238580112E+02 -0.147011442410696E+02 -0.0735689032 -0.0702660809 -0.0669529111 -0.0645363281 -0.0639086234 -0.0619317942
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LiH -0.800790876448678E+01 -0.772523024856516E+01 -0.0414376834 -0.0354961005 -0.0369037380 -0.0321142209 -0.0355276989 -0.0308146288
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FH -0.100139644472777E+03 -0.995662410215169E+02 -0.0806796930 -0.0682852030 -0.0958573888 -0.0812677444 -0.0860991615 -0.0727324951
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Ar -0.526776807324031E+03 -0.526218132560764E+03 -0.0773470679 -0.0615555370 -0.0793134129 -0.0626532522 -0.0724829511 -0.0565525756
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H2O -0.761753393904157E+02 -0.757317668005911E+02 -0.0657215689 -0.0549374959 -0.0721735111 -0.0603791744 -0.0640340711 -0.0530765038
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LiF -0.107057345226258E+03 -0.106661740285342E+03 -0.1180757055 -0.1054497409 -0.1295949185 -0.1157784324 -0.1187244148 -0.1062083996
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HCl -0.460102620459520E+03 -0.459656132257808E+03 -0.0638065312 -0.0499595296 -0.0613362422 -0.0478353348 -0.0557409046 -0.0427715743
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BeO -0.895638361814538E+02 -0.891959225231439E+02 -0.1095411725 -0.0976779923 -0.1113024114 -0.0991719026 -0.1008764805 -0.0905058044
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CO -0.112919010098347E+03 -0.112415944953305E+03 -0.0787126647 -0.0684090390 -0.0827250147 -0.0729101265 -0.0717693189 -0.0610200977
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N2 -0.109177425567641E+03 -0.108618230163024E+03 -0.0779437972 -0.0675989628 -0.0815414641 -0.0708873169 -0.0705184568 -0.0586851664
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CH4 -0.403573751114060E+02 -0.398340495273376E+02 -0.0389502575 -0.0331279878 -0.0368578657 -0.0312576652 -0.0323276010 -0.0271090736
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BH3 -0.264876889155088E+02 -0.260039433030129E+02 -0.0223624421 -0.0171006503 -0.0199226291 -0.0150643326 -0.0169779633 -0.0126246081
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||||||
|
NH3 -0.563554990426549E+02 -0.559763439415815E+02 -0.0515671399 -0.0426085121 -0.0522797742 -0.0433825281 -0.0460714937 -0.0376659786
|
||||||
|
BF -0.124272077585389E+03 -0.123874543686572E+03 -0.0881635955 -0.0817187263 -0.1019764341 -0.0960768248 -0.0908664711 -0.0858387555
|
||||||
|
BN -0.791327643852880E+02 -0.787003068526876E+02 -0.0523287115 -0.0442896195 -0.0511462913 -0.0433544299 -0.0412158253 -0.0345796840
|
||||||
|
SH2 -0.398735957656986E+03 -0.398372461029066E+03 -0.0501911496 -0.0388693845 -0.0460551834 -0.0358122156 -0.0415153907 -0.0315566217
|
||||||
|
F2 -0.198917732127097E+03 -0.198348930353667E+03 -0.1497080316 -0.1359804779 -0.1784387381 -0.1625330400 -0.1594043337 -0.1441203844
|
||||||
20
Data/GW20_FCI_def2TZVP.dat
Normal file
20
Data/GW20_FCI_def2TZVP.dat
Normal file
@ -0,0 +1,20 @@
|
|||||||
|
He -0.289295752569811E+01 -0.199813972883585E+01 -0.0098797238 0.0000000000 -0.0094913193 0.0000000000 -0.0088039543 -0.0000000000
|
||||||
|
Ne -0.128809997474082E+03 -0.128026351597156E+03 -0.0460539474 -0.0386871232 -0.0500650070 -0.0422956922 -0.0458870632 -0.0385431833
|
||||||
|
H2 -0.116826266630530E+01 -0.568805808145588E+00 -0.0047884025 0.0000000000 -0.0041329777 0.0000000000 -0.0035262554 -0.0000000000
|
||||||
|
Li2 -0.149669763246349E+02 -0.147749613858595E+02 -0.0239148902 -0.0209920316 -0.0226428313 -0.0204551777 -0.0210455117 -0.0189857941
|
||||||
|
LiH -0.804813731716169E+01 -0.776235696667347E+01 -0.0156719469 -0.0104966414 -0.0139164642 -0.0101909999 -0.0132823115 -0.0094577666
|
||||||
|
FH -0.100339294867963E+03 -0.997519521198261E+02 -0.0406230499 -0.0343617238 -0.0417752701 -0.0354872409 -0.0377339100 -0.0318004457
|
||||||
|
Ar -0.527032464386985E+03 -0.526461440826289E+03 -0.0400255933 -0.0327457854 -0.0378738690 -0.0307951064 -0.0336803396 -0.0265290938
|
||||||
|
H2O -0.763269638490810E+02 -0.758676106747295E+02 -0.0349928619 -0.0297792226 -0.0342784544 -0.0292328895 -0.0305620351 -0.0257755261
|
||||||
|
LiF -0.107298154349403E+03 -0.106884455059490E+03 -0.0517985569 -0.0451062507 -0.0521344815 -0.0461149939 -0.0476520350 -0.0419395325
|
||||||
|
HCl -0.460324528462448E+03 -0.459862771000080E+03 -0.0341192830 -0.0281438193 -0.0313392454 -0.0258416690 -0.0275902223 -0.0220971948
|
||||||
|
BeO -0.897753851766267E+02 -0.894090625563157E+02 -0.0509546702 -0.0460724447 -0.0516443742 -0.0473587885 -0.0469483872 -0.0431658258
|
||||||
|
CO -0.113126080263386E+03 -0.112611077215575E+03 -0.0385400531 -0.0341193184 -0.0370270519 -0.0327683942 -0.0322384875 -0.0277825375
|
||||||
|
N2 -0.109378603319509E+03 -0.108811395730944E+03 -0.0384590763 -0.0339384436 -0.0369350920 -0.0323129239 -0.0320500558 -0.0269461181
|
||||||
|
CH4 -0.404281894161969E+02 -0.399023474610555E+02 -0.0245431657 -0.0207849465 -0.0222998096 -0.0187907866 -0.0196928320 -0.0162786756
|
||||||
|
BH3 -0.265320670252682E+02 -0.260462073082854E+02 -0.0148703770 -0.0111333845 -0.0130825751 -0.0096295550 -0.0110407567 -0.0079436146
|
||||||
|
NH3 -0.564645108914266E+02 -0.560697872293552E+02 -0.0293150231 -0.0250787557 -0.0274714065 -0.0236150485 -0.0243854443 -0.0206896901
|
||||||
|
BF -0.124505562368989E+03 -0.124098100250429E+03 -0.0435071908 -0.0405257039 -0.0441955290 -0.0415023672 -0.0397618408 -0.0375216138
|
||||||
|
BN -0.792684437465931E+02 -0.788311020009608E+02 -0.0254483215 -0.0220632099 -0.0232665866 -0.0201551400 -0.0191199759 -0.0161707942
|
||||||
|
SH2 -0.398922041095615E+03 -0.398544569419217E+03 -0.0283971156 -0.0235996373 -0.0254200039 -0.0212454406 -0.0222142450 -0.0181620641
|
||||||
|
F2 -0.199306019558061E+03 -0.198732014262522E+03 -0.0731645509 -0.0664131357 -0.0759313446 -0.0688803346 -0.0688548684 -0.0617879911
|
||||||
20
Data/GW20_FCI_def2TZVPP.dat
Normal file
20
Data/GW20_FCI_def2TZVPP.dat
Normal file
@ -0,0 +1,20 @@
|
|||||||
|
He -0.289894792921678E+01 -0.199813972883586E+01 -0.0038571636 0.0000000000 -0.0035806541 0.0000000000 -0.0031251569 -0.0000000000
|
||||||
|
Ne -0.128809997579461E+03 -0.128026352315962E+03 -0.0460539206 -0.0386871198 -0.0500648716 -0.0422955614 -0.0458870961 -0.0385432911
|
||||||
|
H2 -0.117233947245108E+01 -0.569542685438022E+00 -0.0019842830 0.0000000000 -0.0017085864 0.0000000000 -0.0013741000 -0.0000000000
|
||||||
|
Li2 -0.149717833073704E+02 -0.147782095522413E+02 -0.0217272109 -0.0204345191 -0.0213625630 -0.0204451914 -0.0196244288 -0.0189775066
|
||||||
|
LiH -0.805644962837723E+01 -0.776385188084615E+01 -0.0121155737 -0.0102932442 -0.0116934503 -0.0101717994 -0.0107875682 -0.0094367422
|
||||||
|
FH -0.100344829139468E+03 -0.997558087685706E+02 -0.0386240824 -0.0329501012 -0.0399399250 -0.0341177006 -0.0360557816 -0.0305783652
|
||||||
|
Ar -0.527035764019300E+03 -0.526464526696896E+03 -0.0358802783 -0.0288543225 -0.0326612727 -0.0261352907 -0.0295168944 -0.0228633599
|
||||||
|
H2O -0.763373261663488E+02 -0.758755050056890E+02 -0.0307542952 -0.0263604940 -0.0302431589 -0.0258275236 -0.0268999464 -0.0227341447
|
||||||
|
LiF -0.107301086069928E+03 -0.106884975681761E+03 -0.0514480430 -0.0450056687 -0.0519197999 -0.0460329060 -0.0474740309 -0.0418821405
|
||||||
|
HCl -0.460332073704334E+03 -0.459869291004805E+03 -0.0280925640 -0.0226921252 -0.0248578353 -0.0200224645 -0.0222150758 -0.0173246388
|
||||||
|
BeO -0.897754223134428E+02 -0.894090648267961E+02 -0.0509447555 -0.0460763152 -0.0516326140 -0.0473621886 -0.0469359239 -0.0431694355
|
||||||
|
CO -0.113126109636453E+03 -0.112611101983186E+03 -0.0385396713 -0.0341159981 -0.0370265921 -0.0327644679 -0.0322298404 -0.0277802660
|
||||||
|
N2 -0.109378586774000E+03 -0.108811392014473E+03 -0.0384585362 -0.0339386301 -0.0369346985 -0.0323127285 -0.0320459451 -0.0269395571
|
||||||
|
CH4 -0.404387357989912E+02 -0.399108214904491E+02 -0.0167551312 -0.0146139742 -0.0149504597 -0.0130161638 -0.0130844154 -0.0112416773
|
||||||
|
BH3 -0.265387753779189E+02 -0.260509387940992E+02 -0.0091685446 -0.0071171478 -0.0078589883 -0.0060232861 -0.0065157300 -0.0049217267
|
||||||
|
NH3 -0.564760814057498E+02 -0.560790557111708E+02 -0.0229871563 -0.0196809289 -0.0214090056 -0.0183079551 -0.0189041721 -0.0159219086
|
||||||
|
BF -0.124505500449975E+03 -0.124098156850976E+03 -0.0435161787 -0.0405271245 -0.0442057797 -0.0415042228 -0.0397996074 -0.0375235568
|
||||||
|
BN -0.792687074069281E+02 -0.788311049898855E+02 -0.0254279502 -0.0220644469 -0.0232490277 -0.0201535766 -0.0190039807 -0.0161761030
|
||||||
|
SH2 -0.398932113634434E+03 -0.398553133014113E+03 -0.0209024026 -0.0168525153 -0.0179648964 -0.0144626125 -0.0158464539 -0.0124262891
|
||||||
|
F2 -0.199306041932363E+03 -0.198732049623193E+03 -0.0731518588 -0.0664127424 -0.0759144042 -0.0688798653 -0.0688227612 -0.0617867910
|
||||||
20
Data/GW20_G0W0HF_def2SVP.dat
Normal file
20
Data/GW20_G0W0HF_def2SVP.dat
Normal file
@ -0,0 +1,20 @@
|
|||||||
|
He 24.32
|
||||||
|
Ne 20.98
|
||||||
|
H2 16.24
|
||||||
|
Li2 5.03
|
||||||
|
LiH 7.81
|
||||||
|
FH 15.64
|
||||||
|
Ar 15.31
|
||||||
|
H2O 12.27
|
||||||
|
LiF 10.51
|
||||||
|
HCl 12.31
|
||||||
|
BeO 9.63
|
||||||
|
CO 14.73
|
||||||
|
N2 16.98
|
||||||
|
CH4 14.51
|
||||||
|
BH3 13.42
|
||||||
|
NH3 10.61
|
||||||
|
BF 10.98
|
||||||
|
BN 11.36
|
||||||
|
SH2 10.07
|
||||||
|
F2 16.03
|
||||||
67
Data/GW71_FCI_def2SVP.dat
Normal file
67
Data/GW71_FCI_def2SVP.dat
Normal file
@ -0,0 +1,67 @@
|
|||||||
|
10028-15-6 -0.224703812927565E+03 -0.224249862570281E+03 -0.1683709143 -0.1556685642 -0.1879392936 -0.1744096987 -0.1670782996 -0.1537226338
|
||||||
|
10043-11-5 -0.791327549955140E+02 -0.787003080121618E+02 -0.0523254553 -0.0442919285 -0.0511463281 -0.0433542581 -0.0412347718 -0.0345748727
|
||||||
|
12185-09-0 -0.681503817148615E+03 -0.681123517134875E+03 -0.0610895555 -0.0504235172 -0.0545413126 -0.0454633788 -0.0486062304 -0.0395797877
|
||||||
|
12190-70-4 -0.327810108710274E+04 -0.327784977388088E+04 -0.6792585695 -0.6731172458 -0.9447889205 -0.9399077278 -0.8825699495 -0.8776461008
|
||||||
|
124-38-9 -0.187981898007632E+03 -0.187489019596449E+03 -0.1403383661 -0.1282606089 -0.1544386440 -0.1416023633 -0.1387807094 -0.1257081739
|
||||||
|
1304-56-9 -0.895639074533384E+02 -0.891655521816331E+02 -0.1095387787 -0.0976789644 -0.1112993809 -0.0991724258 -0.1008689656 -0.0905072683
|
||||||
|
1309-48-4 -0.274485055981169E+03 -0.274167409742243E+03 -0.2707565187 -0.2635628088 -0.3241526715 -0.3173507924 -0.2992970832 -0.2943540052
|
||||||
|
13283-31-3 -0.264876889002724E+02 -0.260039432977371E+02 -0.0223624507 -0.0171006723 -0.0199226379 -0.0150643359 -0.0169779861 -0.0126246307
|
||||||
|
1333-74-0 -0.116335042303176E+01 -0.565928257492440E+00 -0.0058964151 0.0000000000 -0.0053214663 0.0000000000 -0.0043813303 -0.0000000000
|
||||||
|
13768-60-0 -0.124272047149855E+03 -0.123874521096288E+03 -0.0881706110 -0.0817173459 -0.1019939460 -0.0960739002 -0.0909282019 -0.0858455652
|
||||||
|
14452-59-6 -0.148874239516799E+02 -0.147011442403159E+02 -0.0735883882 -0.0702661295 -0.0669588176 -0.0645363274 -0.0639081198 -0.0619317835
|
||||||
|
1590-87-0 -0.581425120391639E+03 -0.580982490939397E+03 -0.0562955352 -0.0507878368 -0.0483955788 -0.0436888422 -0.0456616639 -0.0411761782
|
||||||
|
1603-84-5 -0.251274809349803E+04 -0.251237342166257E+04 -0.3731120494 -0.3622706707 -0.4580839480 -0.4472230103 -0.4256837778 -0.4144483861
|
||||||
|
17108-85-9 -0.238276415609770E+04 -0.238241567318927E+04 -0.3030881217 -0.2937826353 -0.3601011400 -0.3503600067 -0.3327332365 -0.3237749975
|
||||||
|
17739-47-8 -0.395294719747622E+03 -0.394875339000385E+03 -0.0688470020 -0.0580146564 -0.0663736367 -0.0557864870 -0.0576998533 -0.0467597069
|
||||||
|
19287-45-7 -0.530416890244976E+02 -0.525962588948801E+02 -0.0470886933 -0.0419694082 -0.0420429043 -0.0372867636 -0.0378240788 -0.0334576590
|
||||||
|
23878-46-8 -0.446832119650326E+04 -0.446796485580790E+04 -0.5454042829 -0.5373182684 -0.6889015559 -0.6816509039 -0.6413333897 -0.6342470269
|
||||||
|
25681-79-2 -0.323612057318774E+03 -0.323435335725429E+03 -0.4124002090 -0.4104131872 -0.5002833642 -0.4989185823 -0.4682346095 -0.4669005553
|
||||||
|
25681-80-5 -0.119827585811719E+04 -0.119812972363403E+04 -0.2837074924 -0.2822723105 -0.3385527012 -0.3374642509 -0.3077362805 -0.3065580288
|
||||||
|
302-01-2 -0.111468836554975E+03 -0.111127697064140E+03 -0.0966120660 -0.0880909651 -0.0990660504 -0.0904650407 -0.0892481587 -0.0809455141
|
||||||
|
463-58-1 -0.510521397144784E+03 -0.510121388480278E+03 -0.1276061448 -0.1150615700 -0.1310250686 -0.1189948552 -0.1189015813 -0.1069760933
|
||||||
|
50-00-0 -0.114121072989182E+03 -0.113733402016691E+03 -0.0893454599 -0.0797328197 -0.0950945734 -0.0847036253 -0.0842986943 -0.0745316465
|
||||||
|
544-92-3 -0.173157459646368E+04 -0.173119493658359E+04 -0.4059980424 -0.3930671203 -0.5395051936 -0.5253345813 -0.5020285989 -0.4883983118
|
||||||
|
593-60-2 -0.264997600900960E+04 -0.264958941571935E+04 -0.3755185808 -0.3648934846 -0.4616544865 -0.4503259225 -0.4319794501 -0.4207969769
|
||||||
|
593-66-8 -0.207490340967318E+04 -0.207460364574411E+04 -0.0838351864 -0.0809246696 -0.0828471940 -0.0797535984 -0.0756977141 -0.0728327509
|
||||||
|
630-08-0 -0.112919009193316E+03 -0.112415951566850E+03 -0.0787144736 -0.0684090412 -0.0827266458 -0.0729081533 -0.0717614224 -0.0610191046
|
||||||
|
64-17-5 -0.154485104790541E+03 -0.154101968612631E+03 -0.1324883016 -0.1230471004 -0.1368521101 -0.1265112929 -0.1259884185 -0.1160925019
|
||||||
|
64-18-6 -0.189140943373575E+03 -0.188730601593313E+03 -0.1495436498 -0.1384646541 -0.1631521300 -0.1511760162 -0.1480439401 -0.1366826052
|
||||||
|
67-56-1 -0.115321877566447E+03 -0.114929372263754E+03 -0.0986536101 -0.0890929688 -0.1041008942 -0.0936239291 -0.0940128710 -0.0839291575
|
||||||
|
74-82-8 -0.403573741228606E+02 -0.398340505229528E+02 -0.0389514574 -0.0331275255 -0.0368582201 -0.0312572870 -0.0323272570 -0.0271088937
|
||||||
|
74-84-0 -0.795200356181418E+02 -0.790564504528207E+02 -0.0727065193 -0.0672117233 -0.0694550317 -0.0640212101 -0.0631755603 -0.0582852494
|
||||||
|
74-85-1 -0.782918282462869E+02 -0.778161471041733E+02 -0.0656013679 -0.0593314583 -0.0628080697 -0.0565354142 -0.0561443801 -0.0501506013
|
||||||
|
74-86-2 -0.770471068787001E+02 -0.766325608483491E+02 -0.0586481148 -0.0501213400 -0.0557097748 -0.0482141716 -0.0489092979 -0.0419924842
|
||||||
|
74-90-8 -0.931072382986991E+02 -0.926127682127754E+02 -0.0683919748 -0.0584671816 -0.0685360038 -0.0587782472 -0.0597185468 -0.0493409170
|
||||||
|
74-98-6 -0.118677945160215E+03 -0.118234014748081E+03 -0.1066559808 -0.1013893742 -0.1024190950 -0.0972137491 -0.0956721778 -0.0909462417
|
||||||
|
7439-90-9 -0.275190594805388E+04 -0.275139994659803E+04 -0.3294437779 -0.3157007615 -0.4240562617 -0.4088494920 -0.3963681413 -0.3817769857
|
||||||
|
7440-01-9 -0.128564953027506E+03 -0.127790045507783E+03 -0.0927119619 -0.0778441759 -0.1149987204 -0.0969790106 -0.1047904333 -0.0882641699
|
||||||
|
7440-37-1 -0.526776807497705E+03 -0.526218132500108E+03 -0.0773466195 -0.0615555506 -0.0793127961 -0.0626532290 -0.0724839277 -0.0565524346
|
||||||
|
7440-59-7 -0.288693107851319E+01 -0.199362316042288E+01 -0.0119073329 0.0000000000 -0.0123002737 0.0000000000 -0.0111730848 -0.0000000000
|
||||||
|
7446-09-5 -0.547460971166618E+03 -0.547024512626969E+03 -0.1621985772 -0.1494865671 -0.1753136173 -0.1621327732 -0.1587276526 -0.1460499697
|
||||||
|
75-01-4 -0.537194210143580E+03 -0.536831391009302E+03 -0.1246052364 -0.1145216259 -0.1209838592 -0.1115668963 -0.1120393004 -0.1033493726
|
||||||
|
75-02-5 -0.177232805443505E+03 -0.176851071988425E+03 -0.1395629208 -0.1309729572 -0.1529338049 -0.1448803437 -0.1394492104 -0.1321072672
|
||||||
|
75-07-0 -0.153292910893827E+03 -0.152925842622553E+03 -0.1234434767 -0.1139702537 -0.1280184921 -0.1177943864 -0.1168574080 -0.1071671813
|
||||||
|
75-15-0 -0.833060007587753E+03 -0.832706392066016E+03 -0.1151784795 -0.1024935927 -0.1082701438 -0.0964687220 -0.1005322340 -0.0881990639
|
||||||
|
75-19-4 -0.117444532034445E+03 -0.117049299073791E+03 -0.1008592359 -0.0936558234 -0.0974150732 -0.0905124716 -0.0905461791 -0.0836175901
|
||||||
|
7580-67-8 -0.800790882731581E+01 -0.772523037709561E+01 -0.0414380923 -0.0354554051 -0.0369040115 -0.0321155244 -0.0355280403 -0.0308154279
|
||||||
|
7647-01-0 -0.460102620456929E+03 -0.459656132122626E+03 -0.0638064836 -0.0499596112 -0.0613361482 -0.0478354263 -0.0557405199 -0.0427718087
|
||||||
|
7647-14-5 -0.621375546748332E+03 -0.621064563088467E+03 -0.2748526834 -0.2607054758 -0.3156987808 -0.3019097479 -0.2945712446 -0.2811769385
|
||||||
|
7664-39-3 -0.100139645105249E+03 -0.995662408411092E+02 -0.0806793715 -0.0682853984 -0.0958567991 -0.0812680611 -0.0860976024 -0.0727330194
|
||||||
|
7664-41-7 -0.563554987909239E+02 -0.559763461926277E+02 -0.0515670396 -0.0426081941 -0.0522794101 -0.0433820466 -0.0460707992 -0.0376657903
|
||||||
|
7693-26-7 -0.599681550973926E+03 -0.599467139020480E+03 -0.1475689977 -0.1415453482 -0.1737411517 -0.1690930627 -0.1582047530 -0.1534778298
|
||||||
|
7722-84-1 -0.151056755729155E+03 -0.150593438952404E+03 -0.1227513771 -0.1117727210 -0.1356249001 -0.1238411178 -0.1211483238 -0.1100232690
|
||||||
|
7726-95-6 -0.514465903516767E+04 -0.514427842682014E+04 -0.6203486902 -0.6077330017 -0.7926241365 -0.7790956351 -0.7416057623 -0.7285845949
|
||||||
|
7727-37-9 -0.109177421866698E+03 -0.108618235799747E+03 -0.0779406018 -0.0675967777 -0.0815364323 -0.0708839883 -0.0704957504 -0.0586879493
|
||||||
|
7732-18-5 -0.761753363620411E+02 -0.757317673521811E+02 -0.0657215564 -0.0549374050 -0.0721733651 -0.0603790609 -0.0640327735 -0.0530763668
|
||||||
|
7758-02-3 -0.317155669296365E+04 -0.317127269134428E+04 -0.4589713148 -0.4473751502 -0.5719127800 -0.5602917242 -0.5307711377 -0.5191888157
|
||||||
|
7782-41-4 -0.198917731268262E+03 -0.198348922504716E+03 -0.1497073623 -0.1359798263 -0.1784381038 -0.1625321989 -0.1593926358 -0.1441150019
|
||||||
|
7782-50-5 -0.918959222556296E+03 -0.918550832388023E+03 -0.1225350828 -0.1071630161 -0.1187556847 -0.1033843763 -0.1080987539 -0.0934741672
|
||||||
|
7782-65-2 -0.207768604713715E+04 -0.207723174613499E+04 -0.2659737332 -0.2610699723 -0.3297907677 -0.3255629456 -0.3056999067 -0.3015380992
|
||||||
|
7782-79-8 -0.164233340060194E+03 -0.163852941840108E+03 -0.1234651738 -0.1127346182 -0.1284041525 -0.1177159170 -0.1152059890 -0.1044733489
|
||||||
|
7783-06-4 -0.398735957034223E+03 -0.398372461358428E+03 -0.0501913122 -0.0388690493 -0.0460553807 -0.0358118203 -0.0415157823 -0.0315562621
|
||||||
|
7783-40-6 -0.398807247668917E+03 -0.398312634444952E+03 -0.3708071372 -0.3578756832 -0.4489864506 -0.4352022742 -0.4151916512 -0.4020348772
|
||||||
|
7784-42-1 -0.223592507948341E+04 -0.223555139663626E+04 -0.2789864603 -0.2724330547 -0.3493372871 -0.3430769446 -0.3246841504 -0.3185730487
|
||||||
|
7786-30-3 -0.111873992188609E+04 -0.111832324021146E+04 -0.3399261641 -0.3254124604 -0.3846431055 -0.3701629010 -0.3602453389 -0.3462429513
|
||||||
|
7789-24-4 -0.107057345244283E+03 -0.106661740421053E+03 -0.1180741751 -0.1054496485 -0.1295945795 -0.1157783751 -0.1187252614 -0.1062082599
|
||||||
|
7803-51-2 -0.342529253602671E+03 -0.342152697919397E+03 -0.0376917705 -0.0301728140 -0.0329693192 -0.0268812187 -0.0294017109 -0.0235384736
|
||||||
|
7803-62-5 -0.291302423622731E+03 -0.290837133810374E+03 -0.0295147722 -0.0241267100 -0.0250596971 -0.0205033199 -0.0223444347 -0.0177516297
|
||||||
Loading…
Reference in New Issue
Block a user