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	hartrees
Energy at 0K	-473.567301
Energy at 298.15K	-473.571769
HF Energy	-473.261896
Nuclear repulsion energy	100.188172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3197	3042	5.62
2	A₁	1574	1497	4.56
3	A₁	1157	1100	0.20
4	A₁	1066	1014	3.65
5	A₁	610	580	20.03
6	A₂	3280	3120	0.00
7	A₂	1247	1186	0.00
8	A₂	939	893	0.00
9	B₁	3296	3136	3.22
10	B₁	1006	957	4.96
11	B₁	893	849	1.07
12	B₂	3193	3037	5.60
13	B₂	1563	1486	1.22
14	B₂	1153	1097	41.27
15	B₂	665	633	0.54

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.875
C2	0.000	0.752	-0.804
C3	0.000	-0.752	-0.804
H4	-0.916	1.257	-1.087
H5	0.916	1.257	-1.087
H6	0.916	-1.257	-1.087
H7	-0.916	-1.257	-1.087

	S1	C2	C3	H4	H5	H6	H7
S1		1.8392	1.8392	2.5039	2.5039	2.5039	2.5039
C2	1.8392		1.5048	1.0838	1.0838	2.2267	2.2267
C3	1.8392	1.5048		2.2267	2.2267	1.0838	1.0838
H4	2.5039	1.0838	2.2267		1.8323	3.1112	2.5144
H5	2.5039	1.0838	2.2267	1.8323		2.5144	3.1112
H6	2.5039	2.2267	1.0838	3.1112	2.5144		1.8323
H7	2.5039	2.2267	1.0838	2.5144	3.1112	1.8323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.853	S1	C2	H4	115.431
S1	C2	H5	115.431	S1	C3	C2	65.853
S1	C3	H6	115.431	S1	C3	H7	115.431
C2	S1	C3	48.294	C2	C3	H6	117.761
C2	C3	H7	117.761	C3	C2	H4	117.761
C3	C2	H5	117.761	H4	C2	H5	115.405
H6	C3	H7	115.405

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)