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	hartrees
Energy at 0K	-437.217104
Energy at 298.15K	-437.218468
HF Energy	-437.217104
Nuclear repulsion energy	44.337989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3010	2960	33.30
2	A₁	1478	1453	9.58
3	A₁	1067	1049	12.59
4	B₁	991	974	49.53
5	B₂	3091	3040	12.75
6	B₂	992	976	7.91

Atom	y (Å)	z (Å)
S1	0.000	0.591
C2	0.000	-1.035
H3	0.931	-1.624
H4	-0.931	-1.624

	S1	C2	H3	H4
S1		1.6259	2.4031	2.4031
C2	1.6259		1.1021	1.1021
H3	2.4031	1.1021		1.8623
H4	2.4031	1.1021	1.8623

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.339		S1	C2	H4	122.339
H3	C2	H4	115.322

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	S	-0.014
2	C	-0.389
3	H	0.202
4	H	0.202

	x	y	z	Total
	0.000	0.000	-1.832	1.832
CHELPG
AIM
ESP

	x	y	z
x	1.959	0.000	0.000
y	0.000	2.864	-0.007
z	0.000	-0.007	5.885

<r²>	30.808
(<r²>)^1/2	5.550

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)