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	hartrees
Energy at 0K	-476.062707
Energy at 298.15K	-476.067101
HF Energy	-475.575883
Nuclear repulsion energy	99.561219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3131	3061
2	A₁	1484	1451
3	A₁	1133	1108
4	A₁	1029	1006
5	A₁	620	606
6	A₂	3218	3147
7	A₂	1183	1157
8	A₂	881	862
9	B₁	3233	3161
10	B₁	941	920
11	B₁	821	803
12	B₂	3125	3056
13	B₂	1452	1420
14	B₂	1041	1018
15	B₂	636	622

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.882
C2	0.000	0.748	-0.815
C3	0.000	-0.748	-0.815
H4	-0.928	1.264	-1.084
H5	0.928	1.264	-1.084
H6	0.928	-1.264	-1.084
H7	-0.928	-1.264	-1.084

	S1	C2	C3	H4	H5	H6	H7
S1		1.8554	1.8554	2.5154	2.5154	2.5154	2.5154
C2	1.8554		1.4967	1.0954	1.0954	2.2325	2.2325
C3	1.8554	1.4967		2.2325	2.2325	1.0954	1.0954
H4	2.5154	1.0954	2.2325		1.8565	3.1368	2.5284
H5	2.5154	1.0954	2.2325	1.8565		2.5284	3.1368
H6	2.5154	2.2325	1.0954	3.1368	2.5284		1.8565
H7	2.5154	2.2325	1.0954	2.5284	3.1368	1.8565

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.214	S1	C2	H4	114.483
S1	C2	H5	114.483	S1	C3	C2	66.214
S1	C3	H6	114.483	S1	C3	H7	114.483
C2	S1	C3	47.573	C2	C3	H6	118.094
C2	C3	H7	118.094	C3	C2	H4	118.094
C3	C2	H5	118.094	H4	C2	H5	115.856
H6	C3	H7	115.856

All results from a given calculation for C₂H₄S (Thiirane)

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

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)