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	hartrees
Energy at 0K	-476.022728
Energy at 298.15K	-476.027223
HF Energy	-475.593461
Nuclear repulsion energy	100.896525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3022	9.30
2	A₁	1529	1450	4.24
3	A₁	1168	1107	3.95
4	A₁	1093	1036	0.53
5	A₁	656	622	20.87
6	A₂	3281	3110	0.00
7	A₂	1214	1150	0.00
8	A₂	930	882	0.00
9	B₁	3294	3123	4.65
10	B₁	984	933	4.61
11	B₁	858	813	0.07
12	B₂	3186	3020	8.43
13	B₂	1501	1423	0.23
14	B₂	1120	1061	49.03
15	B₂	685	649	1.71

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.871
C2	0.000	0.739	-0.802
C3	0.000	-0.739	-0.802
H4	-0.914	1.245	-1.078
H5	0.914	1.245	-1.078
H6	0.914	-1.245	-1.078
H7	-0.914	-1.245	-1.078

	S1	C2	C3	H4	H5	H6	H7
S1		1.8295	1.8295	2.4878	2.4878	2.4878	2.4878
C2	1.8295		1.4781	1.0812	1.0812	2.2024	2.2024
C3	1.8295	1.4781		2.2024	2.2024	1.0812	1.0812
H4	2.4878	1.0812	2.2024		1.8289	3.0902	2.4909
H5	2.4878	1.0812	2.2024	1.8289		2.4909	3.0902
H6	2.4878	2.2024	1.0812	3.0902	2.4909		1.8289
H7	2.4878	2.2024	1.0812	2.4909	3.0902	1.8289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.174	S1	C2	H4	115.020
S1	C2	H5	115.020	S1	C3	C2	66.174
S1	C3	H6	115.020	S1	C3	H7	115.020
C2	S1	C3	47.653	C2	C3	H6	117.929
C2	C3	H7	117.929	C3	C2	H4	117.929
C3	C2	H5	117.929	H4	C2	H5	115.512
H6	C3	H7	115.512

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)