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	hartrees
Energy at 0K	-476.156310
Energy at 298.15K	-476.160798
HF Energy	-475.610848
Nuclear repulsion energy	101.207327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3165	2979	12.45
2	A₁	1522	1433	2.88
3	A₁	1158	1090	2.11
4	A₁	1066	1003	0.66
5	A₁	655	617	23.48
6	A₂	3244	3054	0.00
7	A₂	1214	1143	0.00
8	A₂	917	863	0.00
9	B₁	3258	3066	4.32
10	B₁	976	919	2.98
11	B₁	844	794	0.27
12	B₂	3160	2975	11.25
13	B₂	1494	1407	0.45
14	B₂	1098	1033	25.60
15	B₂	698	657	0.85

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	1.249	-1.074
H5	0.912	1.249	-1.074
H6	0.912	-1.249	-1.074
H7	-0.912	-1.249	-1.074

	S1	C2	C3	H4	H5	H6	H7
S1		1.8176	1.8176	2.4799	2.4799	2.4799	2.4799
C2	1.8176		1.4815	1.0806	1.0806	2.2067	2.2067
C3	1.8176	1.4815		2.2067	2.2067	1.0806	1.0806
H4	2.4799	1.0806	2.2067		1.8236	3.0933	2.4987
H5	2.4799	1.0806	2.2067	1.8236		2.4987	3.0933
H6	2.4799	2.2067	1.0806	3.0933	2.4987		1.8236
H7	2.4799	2.2067	1.0806	2.4987	3.0933	1.8236

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.950	S1	C2	H4	115.296
S1	C2	H5	115.296	S1	C3	C2	65.950
S1	C3	H6	115.296	S1	C3	H7	115.296
C2	S1	C3	48.100	C2	C3	H6	118.077
C2	C3	H7	118.077	C3	C2	H4	118.077
C3	C2	H5	118.077	H4	C2	H5	115.085
H6	C3	H7	115.085

All results from a given calculation for C₂H₄S (Thiirane)

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

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)