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	hartrees
Energy at 0K	-476.045052
Energy at 298.15K	-476.049487
HF Energy	-475.569853
Nuclear repulsion energy	100.072386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3145	3016
2	A₁	1494	1433
3	A₁	1147	1100
4	A₁	1044	1001
5	A₁	647	620
6	A₂	3230	3098
7	A₂	1187	1138
8	A₂	891	855
9	B₁	3244	3111
10	B₁	953	914
11	B₁	831	797
12	B₂	3140	3011
13	B₂	1461	1401
14	B₂	1061	1017
15	B₂	667	640

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.875
C2	0.000	0.748	-0.804
C3	0.000	-0.748	-0.804
H4	-0.925	1.264	-1.089
H5	0.925	1.264	-1.089
H6	0.925	-1.264	-1.089
H7	-0.925	-1.264	-1.089

	S1	C2	C3	H4	H5	H6	H7
S1		1.8387	1.8387	2.5122	2.5122	2.5122	2.5122
C2	1.8387		1.4955	1.0970	1.0970	2.2323	2.2323
C3	1.8387	1.4955		2.2323	2.2323	1.0970	1.0970
H4	2.5122	1.0970	2.2323		1.8509	3.1325	2.5272
H5	2.5122	1.0970	2.2323	1.8509		2.5272	3.1325
H6	2.5122	2.2323	1.0970	3.1325	2.5272		1.8509
H7	2.5122	2.2323	1.0970	2.5272	3.1325	1.8509

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.003	S1	C2	H4	115.344
S1	C2	H5	115.344	S1	C3	C2	66.003
S1	C3	H6	115.344	S1	C3	H7	115.344
C2	S1	C3	47.994	C2	C3	H6	118.049
C2	C3	H7	118.049	C3	C2	H4	118.049
C3	C2	H5	118.049	H4	C2	H5	115.048
H6	C3	H7	115.048

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: QCISD(T)=FULL/cc-pVDZ

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(T)=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)