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	hartrees
Energy at 0K	-437.513807
Energy at 298.15K	-437.515191
HF Energy	-437.513807
Nuclear repulsion energy	44.798011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3061	2959	32.71
2	A₁	1494	1445	4.25
3	A₁	1088	1052	13.58
4	B₁	1029	994	40.18
5	B₂	3142	3038	8.03
6	B₂	1005	972	2.40

Atom	y (Å)	z (Å)
S1	0.000	0.585
C2	0.000	-1.025
H3	0.921	-1.604
H4	-0.921	-1.604

	S1	C2	H3	H4
S1		1.6106	2.3751	2.3751
C2	1.6106		1.0876	1.0876
H3	2.3751	1.0876		1.8416
H4	2.3751	1.0876	1.8416

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.148		S1	C2	H4	122.148
H3	C2	H4	115.704

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: B3LYPultrafine/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	-0.079
2	C	-0.202
3	H	0.141
4	H	0.141

	x	y	z	Total
	0.000	0.000	-1.732	1.732
CHELPG
AIM
ESP

<r²>	30.573
(<r²>)^1/2	5.529

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)