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	hartrees
Energy at 0K	-476.010032
Energy at 298.15K	-476.014467
HF Energy	-475.576642
Nuclear repulsion energy	100.084371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3169	3039	11.26
2	A₁	1491	1430	2.24
3	A₁	1155	1108	2.18
4	A₁	1038	995	0.97
5	A₁	642	616	20.51
6	A₂	3266	3132	0.00
7	A₂	1190	1141	0.00
8	A₂	897	860	0.00
9	B₁	3280	3145	1.42
10	B₁	952	913	3.00
11	B₁	828	794	0.41
12	B₂	3165	3035	6.73
13	B₂	1460	1400	0.44
14	B₂	1048	1005	20.62
15	B₂	664	637	0.74

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.877
C2	0.000	0.745	-0.811
C3	0.000	-0.745	-0.811
H4	-0.927	1.259	-1.076
H5	0.927	1.259	-1.076
H6	0.927	-1.259	-1.076
H7	-0.927	-1.259	-1.076

	S1	C2	C3	H4	H5	H6	H7
S1		1.8445	1.8445	2.5013	2.5013	2.5013	2.5013
C2	1.8445		1.4892	1.0924	1.0924	2.2233	2.2233
C3	1.8445	1.4892		2.2233	2.2233	1.0924	1.0924
H4	2.5013	1.0924	2.2233		1.8530	3.1263	2.5179
H5	2.5013	1.0924	2.2233	1.8530		2.5179	3.1263
H6	2.5013	2.2233	1.0924	3.1263	2.5179		1.8530
H7	2.5013	2.2233	1.0924	2.5179	3.1263	1.8530

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.191	S1	C2	H4	114.345
S1	C2	H5	114.345	S1	C3	C2	66.191
S1	C3	H6	114.345	S1	C3	H7	114.345
C2	S1	C3	47.618	C2	C3	H6	118.089
C2	C3	H7	118.089	C3	C2	H4	118.089
C3	C2	H5	118.089	H4	C2	H5	116.020
H6	C3	H7	116.020

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)