PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
selenium, atom
4042 Selenium, atom
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Species
Formula
4032
As(III)S2C (MARSTA)
C5H9S3As3
4033
Arsenic, tetramer
As4
4034
As(III)O2C (ASOXAD) (Geo)
C2H4O4As4
4035
As(III)O2C (ASOXAD)
C2H4O4As4
4036
Arsenic trioxide dimer
O6As4
4037
As4O6
O6As4
4038
As4O6 (Geo)
O6As4
4039
As(III)As2C (ASMETH) (Geo)
C5H15As5
4040
As(III)As2C (ASMETH)
C5H15As5
4041
Selenium, cation
Se
4042
Selenium, atom
Se
4043
Selenyl radical
HSe
4044
Hydrogen selenide (Geo)
H2Se
4045
Hydrogen selenide
H2Se
4046
Selenium carbide (Geo)
CSe
4047
Methylselenium hydride (Geo)
CH4Se
4048
Dimethylselenium
C2H6Se
4049
Ethyl selanol (anti) (Geo)
C2H6Se
4050
Dimethylselenium (Geo)
C2H6Se
4051
Selenophene (Geo)
C4H4Se
4052
Selenophene
C4H4Se
Δ
H
f
:
54.3 kcal/mol,
REF:
"CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
OPEN(4,3) SCFCRT=1.D-3 PM7 Selenium, atom H=54.3 HR=CRC Se 0.00000000 +0 0.00000000 +0 0.00000000 +0