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	hartrees
Energy at 0K	-476.044348
Energy at 298.15K	-476.048788
HF Energy	-475.569890
Nuclear repulsion energy	100.093859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3148	3038
2	A₁	1495	1442
3	A₁	1150	1110
4	A₁	1045	1008
5	A₁	649	626
6	A₂	3236	3123
7	A₂	1187	1146
8	A₂	893	862
9	B₁	3250	3137
10	B₁	954	921
11	B₁	831	802
12	B₂	3143	3034
13	B₂	1462	1411
14	B₂	1061	1024
15	B₂	672	648

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.875
C2	0.000	0.747	-0.804
C3	0.000	-0.747	-0.804
H4	-0.925	1.263	-1.088
H5	0.925	1.263	-1.088
H6	0.925	-1.263	-1.088
H7	-0.925	-1.263	-1.088

	S1	C2	C3	H4	H5	H6	H7
S1		1.8384	1.8384	2.5117	2.5117	2.5117	2.5117
C2	1.8384		1.4947	1.0970	1.0970	2.2316	2.2316
C3	1.8384	1.4947		2.2316	2.2316	1.0970	1.0970
H4	2.5117	1.0970	2.2316		1.8507	3.1321	2.5268
H5	2.5117	1.0970	2.2316	1.8507		2.5268	3.1321
H6	2.5117	2.2316	1.0970	3.1321	2.5268		1.8507
H7	2.5117	2.2316	1.0970	2.5268	3.1321	1.8507

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.014	S1	C2	H4	115.335
S1	C2	H5	115.335	S1	C3	C2	66.014
S1	C3	H6	115.335	S1	C3	H7	115.335
C2	S1	C3	47.973	C2	C3	H6	118.064
C2	C3	H7	118.064	C3	C2	H4	118.064
C3	C2	H5	118.064	H4	C2	H5	115.033
H6	C3	H7	115.033

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP4=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: MP4=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)