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	hartrees
Energy at 0K	-476.216554
Energy at 298.15K	-476.221014
HF Energy	-475.612334
Nuclear repulsion energy	101.618324

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3188	10.10
2	A₁	1512	1512	2.19
3	A₁	1162	1162	1.51
4	A₁	1047	1047	1.32
5	A₁	664	664	19.27
6	A₂	3254	3254	0.00
7	A₂	1203	1203	0.00
8	A₂	899	899	0.00
9	B₁	3269	3269	0.36
10	B₁	963	963	3.00
11	B₁	833	833	0.68
12	B₂	3184	3184	5.11
13	B₂	1480	1480	1.10
14	B₂	1049	1049	20.94
15	B₂	702	702	1.06

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.862
C2	0.000	0.737	-0.794
C3	0.000	-0.737	-0.794
H4	-0.913	1.241	-1.063
H5	0.913	1.241	-1.063
H6	0.913	-1.241	-1.063
H7	-0.913	-1.241	-1.063

	S1	C2	C3	H4	H5	H6	H7
S1		1.8129	1.8129	2.4659	2.4659	2.4659	2.4659
C2	1.8129		1.4749	1.0771	1.0771	2.1958	2.1958
C3	1.8129	1.4749		2.1958	2.1958	1.0771	1.0771
H4	2.4659	1.0771	2.1958		1.8264	3.0821	2.4826
H5	2.4659	1.0771	2.1958	1.8264		2.4826	3.0821
H6	2.4659	2.1958	1.0771	3.0821	2.4826		1.8264
H7	2.4659	2.1958	1.0771	2.4826	3.0821	1.8264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.998	S1	C2	H4	114.728
S1	C2	H5	114.728	S1	C3	C2	65.998
S1	C3	H6	114.728	S1	C3	H7	114.728
C2	S1	C3	48.004	C2	C3	H6	117.892
C2	C3	H7	117.892	C3	C2	H4	117.892
C3	C2	H5	117.892	H4	C2	H5	115.957
H6	C3	H7	115.957

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2=FULL/daug-cc-pVTZ

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=FULL/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)