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	hartrees
Energy at 0K	-476.157056
Energy at 298.15K	-476.161539
HF Energy	-475.610823
Nuclear repulsion energy	101.166756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3162	3021	12.73
2	A₁	1521	1454	3.00
3	A₁	1157	1105	2.14
4	A₁	1065	1017	0.59
5	A₁	652	623	23.97
6	A₂	3241	3097	0.00
7	A₂	1213	1159	0.00
8	A₂	916	875	0.00
9	B₁	3255	3110	4.57
10	B₁	975	932	3.00
11	B₁	843	806	0.27
12	B₂	3158	3017	11.53
13	B₂	1494	1427	0.41
14	B₂	1096	1047	25.78
15	B₂	695	664	0.77

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.865
C2	0.000	0.741	-0.795
C3	0.000	-0.741	-0.795
H4	-0.912	1.250	-1.074
H5	0.912	1.250	-1.074
H6	0.912	-1.250	-1.074
H7	-0.912	-1.250	-1.074

	S1	C2	C3	H4	H5	H6	H7
S1		1.8183	1.8183	2.4806	2.4806	2.4806	2.4806
C2	1.8183		1.4816	1.0808	1.0808	2.2071	2.2071
C3	1.8183	1.4816		2.2071	2.2071	1.0808	1.0808
H4	2.4806	1.0808	2.2071		1.8239	3.0940	2.4992
H5	2.4806	1.0808	2.2071	1.8239		2.4992	3.0940
H6	2.4806	2.2071	1.0808	3.0940	2.4992		1.8239
H7	2.4806	2.2071	1.0808	2.4992	3.0940	1.8239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.957	S1	C2	H4	115.290
S1	C2	H5	115.290	S1	C3	C2	65.957
S1	C3	H6	115.290	S1	C3	H7	115.290
C2	S1	C3	48.085	C2	C3	H6	118.084
C2	C3	H7	118.084	C3	C2	H4	118.084
C3	C2	H5	118.084	H4	C2	H5	115.079
H6	C3	H7	115.079

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)