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	hartrees
Energy at 0K	-476.168532
Energy at 298.15K	-476.164217
HF Energy	-475.547065
Nuclear repulsion energy	101.492931

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3312	3312	16.69
2	A₁	1641	1641	5.96
3	A₁	1235	1235	5.37
4	A₁	1146	1146	0.00
5	A₁	677	677	49.79
6	A₂	3392	3392	0.00
7	A₂	1304	1304	0.00
8	A₂	989	989	0.00
9	B₁	3407	3407	7.50
10	B₁	1057	1057	3.45
11	B₁	898	898	0.45
12	B₂	3304	3304	18.91
13	B₂	1603	1603	0.11
14	B₂	1200	1200	38.43
15	B₂	741	741	0.14

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.863
C2	0.000	0.738	-0.795
C3	0.000	-0.738	-0.795
H4	-0.908	1.249	-1.070
H5	0.908	1.249	-1.070
H6	0.908	-1.249	-1.070
H7	-0.908	-1.249	-1.070

	S1	C2	C3	H4	H5	H6	H7
S1		1.8147	1.8147	2.4740	2.4740	2.4740	2.4740
C2	1.8147		1.4753	1.0777	1.0777	2.2014	2.2014
C3	1.8147	1.4753		2.2014	2.2014	1.0777	1.0777
H4	2.4740	1.0777	2.2014		1.8161	3.0881	2.4977
H5	2.4740	1.0777	2.2014	1.8161		2.4977	3.0881
H6	2.4740	2.2014	1.0777	3.0881	2.4977		1.8161
H7	2.4740	2.2014	1.0777	2.4977	3.0881	1.8161

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.017	S1	C2	H4	115.206
S1	C2	H5	115.206	S1	C3	C2	66.017
S1	C3	H6	115.206	S1	C3	H7	115.206
C2	S1	C3	47.966	C2	C3	H6	118.316
C2	C3	H7	118.316	C3	C2	H4	118.316
C3	C2	H5	118.316	H4	C2	H5	114.826
H6	C3	H7	114.826

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)