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	hartrees
Energy at 0K	-476.018704
Energy at 298.15K	-476.023230
HF Energy	-475.589545
Nuclear repulsion energy	101.310344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	3018	11.26
2	A₁	1529	1453	4.91
3	A₁	1176	1117	3.30
4	A₁	1090	1035	0.37
5	A₁	678	644	20.35
6	A₂	3268	3105	0.00
7	A₂	1209	1149	0.00
8	A₂	952	905	0.00
9	B₁	3281	3117	5.25
10	B₁	1006	956	9.69
11	B₁	859	816	0.14
12	B₂	3174	3016	8.84
13	B₂	1499	1424	0.30
14	B₂	1125	1069	44.04
15	B₂	708	673	1.90

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.863
C2	0.000	0.743	-0.792
C3	0.000	-0.743	-0.792
H4	-0.917	1.247	-1.075
H5	0.917	1.247	-1.075
H6	0.917	-1.247	-1.075
H7	-0.917	-1.247	-1.075

	S1	C2	C3	H4	H5	H6	H7
S1		1.8134	1.8134	2.4800	2.4800	2.4800	2.4800
C2	1.8134		1.4854	1.0845	1.0845	2.2096	2.2096
C3	1.8134	1.4854		2.2096	2.2096	1.0845	1.0845
H4	2.4800	1.0845	2.2096		1.8346	3.0968	2.4949
H5	2.4800	1.0845	2.2096	1.8346		2.4949	3.0968
H6	2.4800	2.2096	1.0845	3.0968	2.4949		1.8346
H7	2.4800	2.2096	1.0845	2.4949	3.0968	1.8346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.823	S1	C2	H4	115.377
S1	C2	H5	115.377	S1	C3	C2	65.823
S1	C3	H6	115.377	S1	C3	H7	115.377
C2	S1	C3	48.354	C2	C3	H6	117.735
C2	C3	H7	117.735	C3	C2	H4	117.735
C3	C2	H5	117.735	H4	C2	H5	115.515
H6	C3	H7	115.515

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)