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	hartrees
Energy at 0K	-437.237694
Energy at 298.15K	-437.239051
HF Energy	-437.237694
Nuclear repulsion energy	44.234603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2977	2960	33.17
2	A₁	1414	1406	6.73
3	A₁	1068	1061	11.66
4	B₁	967	962	37.27
5	B₂	3066	3048	12.69
6	B₂	959	953	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		1.6280	2.4101	2.4101
C2	1.6280		1.1097	1.1097
H3	2.4101	1.1097		1.8775
H4	2.4101	1.1097	1.8775

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.222		S1	C2	H4	122.222
H3	C2	H4	115.556

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: PBEPBEultrafine/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	-1.604	1.604
CHELPG
AIM
ESP

<r²>	30.871
(<r²>)^1/2	5.556

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: PBEPBEultrafine/cc-pVDZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)