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	hartrees
Energy at 0K	-437.237703
Energy at 298.15K	-437.239060
HF Energy	-437.237703
Nuclear repulsion energy	44.237165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2977	2960	33.32
2	A₁	1415	1407	6.76
3	A₁	1070	1063	11.62
4	B₁	968	962	37.24
5	B₂	3066	3048	12.78
6	B₂	959	954	3.70

Atom	y (Å)	z (Å)
S1	0.000	0.592
C2	0.000	-1.036
H3	0.939	-1.628
H4	-0.939	-1.628

	S1	C2	H3	H4
S1		1.6279	2.4102	2.4102
C2	1.6279		1.1098	1.1098
H3	2.4102	1.1098		1.8773
H4	2.4102	1.1098	1.8773

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.241		S1	C2	H4	122.241
H3	C2	H4	115.518

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: PBEPBE/cc-pVDZ

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	-0.076
2	C	-0.090
3	H	0.083
4	H	0.083

	x	y	z	Total
	0.000	0.000	-1.603	1.603
CHELPG
AIM
ESP

<r²>	30.870
(<r²>)^1/2	5.556

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: PBEPBE/cc-pVDZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)