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	hartrees
Energy at 0K	-476.052031
Energy at 298.15K	-476.056537
HF Energy	-475.593412
Nuclear repulsion energy	100.842662

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3184	3018	11.26
2	A₁	1541	1461	4.04
3	A₁	1170	1109	5.10
4	A₁	1098	1041	0.29
5	A₁	660	626	23.48
6	A₂	3268	3098	0.00
7	A₂	1223	1160	0.00
8	A₂	931	883	0.00
9	B₁	3282	3111	8.05
10	B₁	991	940	3.92
11	B₁	862	817	0.06
12	B₂	3180	3014	11.33
13	B₂	1511	1432	0.11
14	B₂	1136	1077	45.15
15	B₂	688	653	1.87

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.872
C2	0.000	0.740	-0.802
C3	0.000	-0.740	-0.802
H4	-0.913	1.247	-1.081
H5	0.913	1.247	-1.081
H6	0.913	-1.247	-1.081
H7	-0.913	-1.247	-1.081

	S1	C2	C3	H4	H5	H6	H7
S1		1.8296	1.8296	2.4908	2.4908	2.4908	2.4908
C2	1.8296		1.4809	1.0814	1.0814	2.2054	2.2054
C3	1.8296	1.4809		2.2054	2.2054	1.0814	1.0814
H4	2.4908	1.0814	2.2054		1.8266	3.0918	2.4946
H5	2.4908	1.0814	2.2054	1.8266		2.4946	3.0918
H6	2.4908	2.2054	1.0814	3.0918	2.4946		1.8266
H7	2.4908	2.2054	1.0814	2.4946	3.0918	1.8266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.127	S1	C2	H4	115.236
S1	C2	H5	115.236	S1	C3	C2	66.127
S1	C3	H6	115.236	S1	C3	H7	115.236
C2	S1	C3	47.746	C2	C3	H6	117.949
C2	C3	H7	117.949	C3	C2	H4	117.949
C3	C2	H5	117.949	H4	C2	H5	115.258
H6	C3	H7	115.258

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)