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	hartrees
Energy at 0K	-476.073328
Energy at 298.15K	-476.077785
HF Energy	-475.593016
Nuclear repulsion energy	100.338458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3155	3038
2	A₁	1521	1465
3	A₁	1150	1107
4	A₁	1082	1042
5	A₁	634	610
6	A₂	3243	3122
7	A₂	1207	1162
8	A₂	918	884
9	B₁	3257	3136
10	B₁	973	937
11	B₁	851	819
12	B₂	3152	3035
13	B₂	1494	1439
14	B₂	1110	1069
15	B₂	657	633

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.878
C2	0.000	0.742	-0.808
C3	0.000	-0.742	-0.808
H4	-0.916	1.250	-1.086
H5	0.916	1.250	-1.086
H6	0.916	-1.250	-1.086
H7	-0.916	-1.250	-1.086

	S1	C2	C3	H4	H5	H6	H7
S1		1.8420	1.8420	2.5016	2.5016	2.5016	2.5016
C2	1.8420		1.4843	1.0836	1.0836	2.2102	2.2102
C3	1.8420	1.4843		2.2102	2.2102	1.0836	1.0836
H4	2.5016	1.0836	2.2102		1.8321	3.0993	2.4999
H5	2.5016	1.0836	2.2102	1.8321		2.4999	3.0993
H6	2.5016	2.2102	1.0836	3.0993	2.4999		1.8321
H7	2.5016	2.2102	1.0836	2.4999	3.0993	1.8321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.240	S1	C2	H4	115.059
S1	C2	H5	115.059	S1	C3	C2	66.240
S1	C3	H6	115.059	S1	C3	H7	115.059
C2	S1	C3	47.520	C2	C3	H6	117.944
C2	C3	H7	117.944	C3	C2	H4	117.944
C3	C2	H5	117.944	H4	C2	H5	115.421
H6	C3	H7	115.421

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP4/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: MP4/TZVP

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)