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	hartrees
Energy at 0K	-476.382757
Energy at 298.15K	-476.387219
HF Energy	-475.604733
Nuclear repulsion energy	101.321120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3143	3143
2	A₁	1507	1507
3	A₁	1148	1148
4	A₁	1051	1051
5	A₁	648	648
6	A₂	3227	3227
7	A₂	1199	1199
8	A₂	909	909
9	B₁	3240	3240
10	B₁	969	969
11	B₁	835	835
12	B₂	3139	3139
13	B₂	1480	1480
14	B₂	1080	1080
15	B₂	686	686

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.863
C2	0.000	0.741	-0.794
C3	0.000	-0.741	-0.794
H4	-0.914	1.249	-1.071
H5	0.914	1.249	-1.071
H6	0.914	-1.249	-1.071
H7	-0.914	-1.249	-1.071

	S1	C2	C3	H4	H5	H6	H7
S1		1.8153	1.8153	2.4774	2.4774	2.4774	2.4774
C2	1.8153		1.4829	1.0820	1.0820	2.2081	2.2081
C3	1.8153	1.4829		2.2081	2.2081	1.0820	1.0820
H4	2.4774	1.0820	2.2081		1.8288	3.0963	2.4985
H5	2.4774	1.0820	2.2081	1.8288		2.4985	3.0963
H6	2.4774	2.2081	1.0820	3.0963	2.4985		1.8288
H7	2.4774	2.2081	1.0820	2.4985	3.0963	1.8288

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.892	S1	C2	H4	115.184
S1	C2	H5	115.184	S1	C3	C2	65.892
S1	C3	H6	115.184	S1	C3	H7	115.184
C2	S1	C3	48.216	C2	C3	H6	117.989
C2	C3	H7	117.989	C3	C2	H4	117.989
C3	C2	H5	117.989	H4	C2	H5	115.356
H6	C3	H7	115.356

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: QCISD(T)=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)