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	hartrees
Energy at 0K	-476.128485
Energy at 298.15K	-476.132969
HF Energy	-475.612839
Nuclear repulsion energy	101.461320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3175	3024	9.96
2	A₁	1506	1435	2.95
3	A₁	1157	1102	1.38
4	A₁	1054	1004	1.49
5	A₁	660	629	19.09
6	A₂	3265	3110	0.00
7	A₂	1201	1144	0.00
8	A₂	917	873	0.00
9	B₁	3278	3122	1.65
10	B₁	971	925	3.48
11	B₁	839	799	0.28
12	B₂	3172	3022	7.66
13	B₂	1483	1412	0.56
14	B₂	1075	1024	24.97
15	B₂	704	671	0.96

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.862
C2	0.000	0.741	-0.793
C3	0.000	-0.741	-0.793
H4	-0.914	1.246	-1.067
H5	0.914	1.246	-1.067
H6	0.914	-1.246	-1.067
H7	-0.914	-1.246	-1.067

	S1	C2	C3	H4	H5	H6	H7
S1		1.8133	1.8133	2.4717	2.4717	2.4717	2.4717
C2	1.8133		1.4813	1.0801	1.0801	2.2042	2.2042
C3	1.8133	1.4813		2.2042	2.2042	1.0801	1.0801
H4	2.4717	1.0801	2.2042		1.8290	3.0914	2.4923
H5	2.4717	1.0801	2.2042	1.8290		2.4923	3.0914
H6	2.4717	2.2042	1.0801	3.0914	2.4923		1.8290
H7	2.4717	2.2042	1.0801	2.4923	3.0914	1.8290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.892	S1	C2	H4	114.985
S1	C2	H5	114.985	S1	C3	C2	65.892
S1	C3	H6	114.985	S1	C3	H7	114.985
C2	S1	C3	48.215	C2	C3	H6	117.906
C2	C3	H7	117.906	C3	C2	H4	117.906
C3	C2	H5	117.906	H4	C2	H5	115.695
H6	C3	H7	115.695

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)