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	hartrees
Energy at 0K	-475.995214
Energy at 298.15K	-475.999728
HF Energy	-475.553159
Nuclear repulsion energy	101.121622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	3024	12.89
2	A₁	1565	1473	6.39
3	A₁	1186	1117	4.70
4	A₁	1095	1031	0.14
5	A₁	669	630	23.47
6	A₂	3296	3103	0.00
7	A₂	1234	1162	0.00
8	A₂	946	891	0.00
9	B₁	3308	3114	9.28
10	B₁	1005	946	4.26
11	B₁	864	814	0.14
12	B₂	3208	3020	14.12
13	B₂	1535	1445	0.01
14	B₂	1129	1063	34.80
15	B₂	701	660	0.93

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.867
C2	0.000	0.742	-0.795
C3	0.000	-0.742	-0.795
H4	-0.911	1.250	-1.082
H5	0.911	1.250	-1.082
H6	0.911	-1.250	-1.082
H7	-0.911	-1.250	-1.082

	S1	C2	C3	H4	H5	H6	H7
S1		1.8196	1.8196	2.4877	2.4877	2.4877	2.4877
C2	1.8196		1.4843	1.0818	1.0818	2.2093	2.2093
C3	1.8196	1.4843		2.2093	2.2093	1.0818	1.0818
H4	2.4877	1.0818	2.2093		1.8223	3.0936	2.4999
H5	2.4877	1.0818	2.2093	1.8223		2.4999	3.0936
H6	2.4877	2.2093	1.0818	3.0936	2.4999		1.8223
H7	2.4877	2.2093	1.0818	2.4999	3.0936	1.8223

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.929	S1	C2	H4	115.698
S1	C2	H5	115.698	S1	C3	C2	65.929
S1	C3	H6	115.698	S1	C3	H7	115.698
C2	S1	C3	48.142	C2	C3	H6	117.994
C2	C3	H7	117.994	C3	C2	H4	117.994
C3	C2	H5	117.994	H4	C2	H5	114.750
H6	C3	H7	114.750

All results from a given calculation for C₂H₄S (Thiirane)

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

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)