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	hartrees
Energy at 0K	-475.743729
Energy at 298.15K	-475.748107
HF Energy	-475.475816
Nuclear repulsion energy	97.023701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	3037	4.86
2	A₁	1545	1482	2.21
3	A₁	1152	1105	3.07
4	A₁	1094	1049	3.85
5	A₁	583	560	17.13
6	A₂	3247	3116	0.00
7	A₂	1241	1191	0.00
8	A₂	896	860	0.00
9	B₁	3263	3131	8.02
10	B₁	929	892	4.51
11	B₁	872	837	0.83
12	B₂	3158	3030	6.40
13	B₂	1524	1462	3.29
14	B₂	1121	1075	40.15
15	B₂	590	566	2.29

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.927
C2	0.000	0.746	-0.861
C3	0.000	-0.746	-0.861
H4	-0.920	1.268	-1.124
H5	0.920	1.268	-1.124
H6	0.920	-1.268	-1.124
H7	-0.920	-1.268	-1.124

	S1	C2	C3	H4	H5	H6	H7
S1		1.9370	1.9370	2.5803	2.5803	2.5803	2.5803
C2	1.9370		1.4927	1.0895	1.0895	2.2297	2.2297
C3	1.9370	1.4927		2.2297	2.2297	1.0895	1.0895
H4	2.5803	1.0895	2.2297		1.8394	3.1324	2.5354
H5	2.5803	1.0895	2.2297	1.8394		2.5354	3.1324
H6	2.5803	2.2297	1.0895	3.1324	2.5354		1.8394
H7	2.5803	2.2297	1.0895	2.5354	3.1324	1.8394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	67.338	S1	C2	H4	114.036
S1	C2	H5	114.036	S1	C3	C2	67.338
S1	C3	H6	114.036	S1	C3	H7	114.036
C2	S1	C3	45.325	C2	C3	H6	118.590
C2	C3	H7	118.590	C3	C2	H4	118.590
C3	C2	H5	118.590	H4	C2	H5	115.168
H6	C3	H7	115.168

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CCD/6-31G

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: CCD/6-31G

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)