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	hartrees
Energy at 0K	-437.500576
Energy at 298.15K	-437.501960
HF Energy	-437.500576
Nuclear repulsion energy	44.644079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3066	2954	29.24
2	A₁	1503	1448	4.54
3	A₁	1080	1040	13.19
4	B₁	1031	993	48.96
5	B₂	3150	3035	10.32
6	B₂	1011	974	4.99

Atom	y (Å)	z (Å)
S1	0.000	0.587
C2	0.000	-1.030
H3	0.922	-1.609
H4	-0.922	-1.609

	S1	C2	H3	H4
S1		1.6170	2.3820	2.3820
C2	1.6170		1.0888	1.0888
H3	2.3820	1.0888		1.8439
H4	2.3820	1.0888	1.8439

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.142		S1	C2	H4	122.142
H3	C2	H4	115.716

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3LYPultrafine/TZVP

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	-0.042
2	C	-0.263
3	H	0.152
4	H	0.152

	x	y	z	Total
	0.000	0.000	-1.767	1.767
CHELPG
AIM
ESP

<r²>	30.750
(<r²>)^1/2	5.545

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3LYPultrafine/TZVP

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)