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	hartrees
Energy at 0K	-437.252251
Energy at 298.15K	-437.253641
HF Energy	-437.252251
Nuclear repulsion energy	44.756228

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3117	2971	26.96
2	A₁	1528	1456	7.75
3	A₁	1118	1066	15.66
4	B₁	1039	990	52.37
5	B₂	3206	3056	7.60
6	B₂	1025	977	7.14

Atom	y (Å)	z (Å)
S1	0.000	0.585
C2	0.000	-1.025
H3	0.924	-1.608
H4	-0.924	-1.608

	S1	C2	H3	H4
S1		1.6105	2.3801	2.3801
C2	1.6105		1.0927	1.0927
H3	2.3801	1.0927		1.8486
H4	2.3801	1.0927	1.8486

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	122.230		S1	C2	H4	122.230
H3	C2	H4	115.540

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: PBE1PBE/6-31G**

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	-0.017
2	C	-0.418
3	H	0.217
4	H	0.217

	x	y	z	Total
	0.000	0.000	-1.914	1.914
CHELPG
AIM
ESP

<r²>	30.446
(<r²>)^1/2	5.518

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: PBE1PBE/6-31G**

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)