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	hartrees
Energy at 0K	-437.482783
Energy at 298.15K	-437.484173
HF Energy	-437.482783
Nuclear repulsion energy	44.863728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3093	2952	38.47
2	A₁	1522	1453	6.30
3	A₁	1114	1064	16.19
4	B₁	1038	991	56.92
5	B₂	3182	3037	12.11
6	B₂	1028	981	11.38

Atom	y (Å)	z (Å)
S1	0.000	0.584
C2	0.000	-1.023
H3	0.923	-1.603
H4	-0.923	-1.603

	S1	C2	H3	H4
S1		1.6069	2.3734	2.3734
C2	1.6069		1.0897	1.0897
H3	2.3734	1.0897		1.8451
H4	2.3734	1.0897	1.8451

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.151		S1	C2	H4	122.151
H3	C2	H4	115.698

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: mPW1PW91/6-311G*

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	0.021
2	C	-0.535
3	H	0.257
4	H	0.257

	x	y	z	Total
	0.000	0.000	-1.835	1.835
CHELPG
AIM
ESP

<r²>	30.600
(<r²>)^1/2	5.532

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)