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	hartrees
Energy at 0K	-437.490311
Energy at 298.15K	-437.491695
HF Energy	-437.490311
Nuclear repulsion energy	44.453538

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3063	2962	36.98
2	A₁	1492	1443	5.45
3	A₁	1090	1054	13.55
4	B₁	1036	1002	40.65
5	B₂	3155	3052	7.32
6	B₂	997	965	2.20

Atom	y (Å)	z (Å)
S1	0.000	0.589
C2	0.000	-1.034
H3	0.931	-1.614
H4	-0.931	-1.614

	S1	C2	H3	H4
S1		1.6229	2.3921	2.3921
C2	1.6229		1.0971	1.0971
H3	2.3921	1.0971		1.8618
H4	2.3921	1.0971	1.8618

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S1	C2	H3	121.952		S1	C2	H4	121.952
H3	C2	H4	116.095

All results from a given calculation for H₂CS (Thioformaldehyde)

using model chemistry: TPSSh/aug-cc-pVDZ

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	0.094
2	C	0.244
3	H	-0.169
4	H	-0.169

	x	y	z	Total
	0.000	0.000	-1.860	1.860
CHELPG
AIM
ESP

<r²>	30.888
(<r²>)^1/2	5.558

All results from a given calculation for H2CS (Thioformaldehyde)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for H₂CS (Thioformaldehyde)