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	hartrees
Energy at 0K	-435.243822
Energy at 298.15K	-435.245174
HF Energy	-435.243822
Nuclear repulsion energy	43.355596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3023	3006	19.48
2	A₁	1498	1490	5.13
3	A₁	967	961	11.59
4	B₁	989	983	69.04
5	B₂	3115	3098	14.26
6	B₂	994	988	6.71

Atom	y (Å)	z (Å)
S1	0.000	0.606
C2	0.000	-1.069
H3	0.932	-1.645
H4	-0.932	-1.645

	S1	C2	H3	H4
S1		1.6751	2.4366	2.4366
C2	1.6751		1.0958	1.0958
H3	2.4366	1.0958		1.8642
H4	2.4366	1.0958	1.8642

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.721		S1	C2	H4	121.721
H3	C2	H4	116.558

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: BLYP/3-21G

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	0.169
2	C	-0.625
3	H	0.228
4	H	0.228

	x	y	z	Total
	0.000	0.000	-1.928	1.928
CHELPG
AIM
ESP

<r²>	31.874
(<r²>)^1/2	5.646

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)