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	hartrees
Energy at 0K	-437.443785
Energy at 298.15K	-437.445169
HF Energy	-437.443785
Nuclear repulsion energy	44.877827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3064	2946	32.11
2	A₁	1487	1430	3.91
3	A₁	1104	1061	14.02
4	B₁	1027	988	41.09
5	B₂	3149	3028	7.02
6	B₂	1001	963	2.53

Atom	y (Å)	z (Å)
S1	0.000	0.584
C2	0.000	-1.023
H3	0.923	-1.602
H4	-0.923	-1.602

	S1	C2	H3	H4
S1		1.6064	2.3724	2.3724
C2	1.6064		1.0895	1.0895
H3	2.3724	1.0895		1.8456
H4	2.3724	1.0895	1.8456

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.114		S1	C2	H4	122.114
H3	C2	H4	115.772

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3PW91/cc-pVTZ

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	-0.099
2	C	-0.173
3	H	0.136
4	H	0.136

	x	y	z	Total
	0.000	0.000	-1.754	1.754
CHELPG
AIM
ESP

<r²>	30.396
(<r²>)^1/2	5.513

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3PW91/cc-pVTZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)