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	hartrees
Energy at 0K	-475.981226
Energy at 298.15K	-475.985733
HF Energy	-475.546221
Nuclear repulsion energy	101.085919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3178	3019	11.35
2	A₁	1556	1478	4.69
3	A₁	1185	1126	3.54
4	A₁	1093	1038	0.64
5	A₁	674	640	22.95
6	A₂	3256	3093	0.00
7	A₂	1230	1168	0.00
8	A₂	943	896	0.00
9	B₁	3269	3105	7.05
10	B₁	1003	953	5.03
11	B₁	865	822	0.38
12	B₂	3174	3015	12.06
13	B₂	1525	1448	0.25
14	B₂	1126	1070	37.14
15	B₂	706	671	1.07

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.866
C2	0.000	0.741	-0.794
C3	0.000	-0.741	-0.794
H4	-0.916	1.252	-1.082
H5	0.916	1.252	-1.082
H6	0.916	-1.252	-1.082
H7	-0.916	-1.252	-1.082

	S1	C2	C3	H4	H5	H6	H7
S1		1.8180	1.8180	2.4908	2.4908	2.4908	2.4908
C2	1.8180		1.4829	1.0878	1.0878	2.2130	2.2130
C3	1.8180	1.4829		2.2130	2.2130	1.0878	1.0878
H4	2.4908	1.0878	2.2130		1.8320	3.1030	2.5045
H5	2.4908	1.0878	2.2130	1.8320		2.5045	3.1030
H6	2.4908	2.2130	1.0878	3.1030	2.5045		1.8320
H7	2.4908	2.2130	1.0878	2.5045	3.1030	1.8320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.930	S1	C2	H4	115.706
S1	C2	H5	115.706	S1	C3	C2	65.930
S1	C3	H6	115.706	S1	C3	H7	115.706
C2	S1	C3	48.140	C2	C3	H6	118.007
C2	C3	H7	118.007	C3	C2	H4	118.007
C3	C2	H5	118.007	H4	C2	H5	114.721
H6	C3	H7	114.721

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CCSD=FULL/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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All results from a given calculation for C2H4S (Thiirane)

using model chemistry: CCSD=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)