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	hartrees
Energy at 0K	-476.172558
Energy at 298.15K	-476.177006
HF Energy	-475.604451
Nuclear repulsion energy	101.023570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3130	2954
2	A₁	1501	1417
3	A₁	1140	1076
4	A₁	1046	987
5	A₁	641	605
6	A₂	3218	3037
7	A₂	1194	1127
8	A₂	907	856
9	B₁	3231	3050
10	B₁	963	909
11	B₁	831	785
12	B₂	3127	2951
13	B₂	1476	1393
14	B₂	1073	1012
15	B₂	679	641

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.866
C2	0.000	0.743	-0.798
C3	0.000	-0.743	-0.798
H4	-0.916	1.252	-1.072
H5	0.916	1.252	-1.072
H6	0.916	-1.252	-1.072
H7	-0.916	-1.252	-1.072

	S1	C2	C3	H4	H5	H6	H7
S1		1.8221	1.8221	2.4831	2.4831	2.4831	2.4831
C2	1.8221		1.4855	1.0839	1.0839	2.2124	2.2124
C3	1.8221	1.4855		2.2124	2.2124	1.0839	1.0839
H4	2.4831	1.0839	2.2124		1.8329	3.1033	2.5041
H5	2.4831	1.0839	2.2124	1.8329		2.5041	3.1033
H6	2.4831	2.2124	1.0839	3.1033	2.5041		1.8329
H7	2.4831	2.2124	1.0839	2.5041	3.1033	1.8329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.944	S1	C2	H4	115.026
S1	C2	H5	115.026	S1	C3	C2	65.944
S1	C3	H6	115.026	S1	C3	H7	115.026
C2	S1	C3	48.112	C2	C3	H6	118.029
C2	C3	H7	118.029	C3	C2	H4	118.029
C3	C2	H5	118.029	H4	C2	H5	115.457
H6	C3	H7	115.457

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP4/6-311+G(3df,2p)

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: MP4/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)