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	hartrees
Energy at 0K	-475.967172
Energy at 298.15K	-475.971728
HF Energy	-475.583052
Nuclear repulsion energy	101.557309

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3222	2994	13.53
2	A₁	1573	1462	3.55
3	A₁	1201	1116	3.85
4	A₁	1113	1034	0.39
5	A₁	687	639	28.98
6	A₂	3305	3071	0.00
7	A₂	1249	1160	0.00
8	A₂	965	897	0.00
9	B₁	3319	3084	8.06
10	B₁	1026	954	9.76
11	B₁	879	816	0.49
12	B₂	3216	2988	12.64
13	B₂	1538	1429	0.95
14	B₂	1156	1074	45.95
15	B₂	727	675	1.81

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.861
C2	0.000	0.740	-0.791
C3	0.000	-0.740	-0.791
H4	-0.912	1.248	-1.071
H5	0.912	1.248	-1.071
H6	0.912	-1.248	-1.071
H7	-0.912	-1.248	-1.071

	S1	C2	C3	H4	H5	H6	H7
S1		1.8097	1.8097	2.4741	2.4741	2.4741	2.4741
C2	1.8097		1.4808	1.0806	1.0806	2.2053	2.2053
C3	1.8097	1.4808		2.2053	2.2053	1.0806	1.0806
H4	2.4741	1.0806	2.2053		1.8236	3.0910	2.4957
H5	2.4741	1.0806	2.2053	1.8236		2.4957	3.0910
H6	2.4741	2.2053	1.0806	3.0910	2.4957		1.8236
H7	2.4741	2.2053	1.0806	2.4957	3.0910	1.8236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.850	S1	C2	H4	115.415
S1	C2	H5	115.415	S1	C3	C2	65.850
S1	C3	H6	115.415	S1	C3	H7	115.415
C2	S1	C3	48.301	C2	C3	H6	118.008
C2	C3	H7	118.008	C3	C2	H4	118.008
C3	C2	H5	118.008	H4	C2	H5	115.086
H6	C3	H7	115.086

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CID/6-311G*

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: CID/6-311G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)