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	hartrees
Energy at 0K	-475.717892
Energy at 298.15K	-475.722315
HF Energy	-475.476897
Nuclear repulsion energy	97.558181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3018	4.06
2	A₁	1573	1471	2.28
3	A₁	1179	1102	3.24
4	A₁	1119	1047	3.30
5	A₁	588	550	23.29
6	A₂	3308	3094	0.00
7	A₂	1266	1184	0.00
8	A₂	922	863	0.00
9	B₁	3325	3109	5.91
10	B₁	951	890	4.35
11	B₁	887	830	0.89
12	B₂	3217	3008	5.79
13	B₂	1550	1450	3.81
14	B₂	1150	1075	44.98
15	B₂	613	573	1.47

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.921
C2	0.000	0.742	-0.856
C3	0.000	-0.742	-0.856
H4	-0.915	1.262	-1.116
H5	0.915	1.262	-1.116
H6	0.915	-1.262	-1.116
H7	-0.915	-1.262	-1.116

	S1	C2	C3	H4	H5	H6	H7
S1		1.9263	1.9263	2.5652	2.5652	2.5652	2.5652
C2	1.9263		1.4843	1.0842	1.0842	2.2186	2.2186
C3	1.9263	1.4843		2.2186	2.2186	1.0842	1.0842
H4	2.5652	1.0842	2.2186		1.8306	3.1181	2.5242
H5	2.5652	1.0842	2.2186	1.8306		2.5242	3.1181
H6	2.5652	2.2186	1.0842	3.1181	2.5242		1.8306
H7	2.5652	2.2186	1.0842	2.5242	3.1181	1.8306

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	67.338	S1	C2	H4	113.934
S1	C2	H5	113.934	S1	C3	C2	67.338
S1	C3	H6	113.934	S1	C3	H7	113.934
C2	S1	C3	45.323	C2	C3	H6	118.657
C2	C3	H7	118.657	C3	C2	H4	118.657
C3	C2	H5	118.657	H4	C2	H5	115.177
H6	C3	H7	115.177

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CID/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: CID/6-31G

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)