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	hartrees
Energy at 0K	-476.062404
Energy at 298.15K	-476.066801
HF Energy	-475.575911
Nuclear repulsion energy	99.580136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3132	3014
2	A₁	1485	1429
3	A₁	1134	1091
4	A₁	1029	991
5	A₁	622	598
6	A₂	3219	3098
7	A₂	1184	1139
8	A₂	881	848
9	B₁	3234	3113
10	B₁	942	906
11	B₁	821	790
12	B₂	3126	3009
13	B₂	1452	1398
14	B₂	1042	1003
15	B₂	637	613

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.882
C2	0.000	0.748	-0.815
C3	0.000	-0.748	-0.815
H4	-0.928	1.264	-1.084
H5	0.928	1.264	-1.084
H6	0.928	-1.264	-1.084
H7	-0.928	-1.264	-1.084

	S1	C2	C3	H4	H5	H6	H7
S1		1.8549	1.8549	2.5150	2.5150	2.5150	2.5150
C2	1.8549		1.4966	1.0954	1.0954	2.2323	2.2323
C3	1.8549	1.4966		2.2323	2.2323	1.0954	1.0954
H4	2.5150	1.0954	2.2323		1.8563	3.1364	2.5281
H5	2.5150	1.0954	2.2323	1.8563		2.5281	3.1364
H6	2.5150	2.2323	1.0954	3.1364	2.5281		1.8563
H7	2.5150	2.2323	1.0954	2.5281	3.1364	1.8563

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.208	S1	C2	H4	114.494
S1	C2	H5	114.494	S1	C3	C2	66.208
S1	C3	H6	114.494	S1	C3	H7	114.494
C2	S1	C3	47.584	C2	C3	H6	118.090
C2	C3	H7	118.090	C3	C2	H4	118.090
C3	C2	H5	118.090	H4	C2	H5	115.851
H6	C3	H7	115.851

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CCSD(T)/aug-cc-pVDZ

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: CCSD(T)/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)