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	hartrees
Energy at 0K	-476.194058
Energy at 298.15K	-476.198488
HF Energy	-475.611537
Nuclear repulsion energy	100.683647

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3133	3049
2	A₁	1495	1455
3	A₁	1134	1104
4	A₁	1041	1013
5	A₁	632	616
6	A₂	3219	3133
7	A₂	1191	1159
8	A₂	893	869
9	B₁	3233	3147
10	B₁	950	924
11	B₁	827	805
12	B₂	3130	3046
13	B₂	1469	1430
14	B₂	1062	1033
15	B₂	666	648

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.871
C2	0.000	0.743	-0.804
C3	0.000	-0.743	-0.804
H4	-0.918	1.252	-1.073
H5	0.918	1.252	-1.073
H6	0.918	-1.252	-1.073
H7	-0.918	-1.252	-1.073

	S1	C2	C3	H4	H5	H6	H7
S1		1.8327	1.8327	2.4876	2.4876	2.4876	2.4876
C2	1.8327		1.4856	1.0832	1.0832	2.2119	2.2119
C3	1.8327	1.4856		2.2119	2.2119	1.0832	1.0832
H4	2.4876	1.0832	2.2119		1.8355	3.1042	2.5034
H5	2.4876	1.0832	2.2119	1.8355		2.5034	3.1042
H6	2.4876	2.2119	1.0832	3.1042	2.5034		1.8355
H7	2.4876	2.2119	1.0832	2.5034	3.1042	1.8355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.091	S1	C2	H4	114.648
S1	C2	H5	114.648	S1	C3	C2	66.091
S1	C3	H6	114.648	S1	C3	H7	114.648
C2	S1	C3	47.819	C2	C3	H6	118.024
C2	C3	H7	118.024	C3	C2	H4	118.024
C3	C2	H5	118.024	H4	C2	H5	115.823
H6	C3	H7	115.823

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP4/aug-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: MP4/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)