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updated atomization energies

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This commit is contained in:
Emmanuel Giner 2019-03-31 19:10:04 +02:00
parent 98ba6ac4d0
commit b056ceadc6
2 changed files with 4 additions and 4 deletions
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4
Ref/Molecules/atomization_energies
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@ -47,8 +47,8 @@ PH3 1010.33 1012.24
S2 431.42 433.94 S2 431.42 433.94
SO 526.33 528.72 SO 526.33 528.72
SO2 1086.86 1091.61 SO2 1086.86 1091.61
Si2 431.42 433.94 Si2 307.15 307.75
Si2H6 2626.11 2631.54 Si2H6 2240.41 2240.54
SiH2_1A1 642.99 643.11 SiH2_1A1 642.99 643.11
SiH2_3B1 557.56 555.72 SiH2_3B1 557.56 555.72
SiH3 954.30 953.44 SiH3 954.30 953.44

4
Ref/atomization_energies
View File

@ -47,8 +47,8 @@ PH3 1010.33 1012.24
S2 431.42 433.94 S2 431.42 433.94
SO 526.33 528.72 SO 526.33 528.72
SO2 1086.86 1091.61 SO2 1086.86 1091.61
Si2 431.42 433.94 Si2 307.15 307.75
Si2H6 2626.11 2631.54 Si2H6 2240.41 2240.54
SiH2_1A1 642.99 643.11 SiH2_1A1 642.99 643.11
SiH2_3B1 557.56 555.72 SiH2_3B1 557.56 555.72
SiH3 954.30 953.44 SiH3 954.30 953.44