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	hartrees
Energy at 0K	-475.722219
Energy at 298.15K	-475.726598
HF Energy	-475.476219
Nuclear repulsion energy	96.987055

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3200	3041	4.44
2	A₁	1559	1481	2.82
3	A₁	1162	1104	2.69
4	A₁	1105	1050	4.04
5	A₁	574	546	17.40
6	A₂	3290	3126	0.00
7	A₂	1254	1192	0.00
8	A₂	902	857	0.00
9	B₁	3307	3142	5.71
10	B₁	928	882	5.63
11	B₁	881	837	0.64
12	B₂	3194	3035	5.15
13	B₂	1540	1464	2.91
14	B₂	1121	1065	41.53
15	B₂	586	557	1.90

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.929
C2	0.000	0.744	-0.865
C3	0.000	-0.744	-0.865
H4	-0.918	1.264	-1.122
H5	0.918	1.264	-1.122
H6	0.918	-1.264	-1.122
H7	-0.918	-1.264	-1.122

	S1	C2	C3	H4	H5	H6	H7
S1		1.9422	1.9422	2.5788	2.5788	2.5788	2.5788
C2	1.9422		1.4876	1.0865	1.0865	2.2230	2.2230
C3	1.9422	1.4876		2.2230	2.2230	1.0865	1.0865
H4	2.5788	1.0865	2.2230		1.8369	3.1251	2.5283
H5	2.5788	1.0865	2.2230	1.8369		2.5283	3.1251
H6	2.5788	2.2230	1.0865	3.1251	2.5283		1.8369
H7	2.5788	2.2230	1.0865	2.5283	3.1251	1.8369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	67.482	S1	C2	H4	113.718
S1	C2	H5	113.718	S1	C3	C2	67.482
S1	C3	H6	113.718	S1	C3	H7	113.718
C2	S1	C3	45.035	C2	C3	H6	118.615
C2	C3	H7	118.615	C3	C2	H4	118.615
C3	C2	H5	118.615	H4	C2	H5	115.407
H6	C3	H7	115.407

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2=FULL/6-31G

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=FULL/6-31G

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)