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	hartrees
Energy at 0K	-475.962786
Energy at 298.15K	-475.967286
HF Energy	-475.546108
Nuclear repulsion energy	100.940059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3174	3022	11.75
2	A₁	1554	1480	5.01
3	A₁	1182	1126	3.63
4	A₁	1091	1039	0.54
5	A₁	669	637	23.79
6	A₂	3251	3096	0.00
7	A₂	1228	1169	0.00
8	A₂	944	899	0.00
9	B₁	3264	3108	7.74
10	B₁	1002	954	5.01
11	B₁	863	822	0.34
12	B₂	3169	3018	12.64
13	B₂	1524	1451	0.17
14	B₂	1123	1069	37.19
15	B₂	701	667	0.90

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.867
C2	0.000	0.742	-0.795
C3	0.000	-0.742	-0.795
H4	-0.916	1.254	-1.084
H5	0.916	1.254	-1.084
H6	0.916	-1.254	-1.084
H7	-0.916	-1.254	-1.084

	S1	C2	C3	H4	H5	H6	H7
S1		1.8206	1.8206	2.4935	2.4935	2.4935	2.4935
C2	1.8206		1.4847	1.0884	1.0884	2.2153	2.2153
C3	1.8206	1.4847		2.2153	2.2153	1.0884	1.0884
H4	2.4935	1.0884	2.2153		1.8327	3.1059	2.5076
H5	2.4935	1.0884	2.2153	1.8327		2.5076	3.1059
H6	2.4935	2.2153	1.0884	3.1059	2.5076		1.8327
H7	2.4935	2.2153	1.0884	2.5076	3.1059	1.8327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.936	S1	C2	H4	115.702
S1	C2	H5	115.702	S1	C3	C2	65.936
S1	C3	H6	115.702	S1	C3	H7	115.702
C2	S1	C3	48.127	C2	C3	H6	118.030
C2	C3	H7	118.030	C3	C2	H4	118.030
C3	C2	H5	118.030	H4	C2	H5	114.693
H6	C3	H7	114.693

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)