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	hartrees
Energy at 0K	-476.118193
Energy at 298.15K	-476.122706
HF Energy	-475.564747
Nuclear repulsion energy	101.542223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3227	3227	7.24
2	A₁	1532	1532	4.09
3	A₁	1176	1176	1.75
4	A₁	1073	1073	0.32
5	A₁	678	678	22.62
6	A₂	3313	3313	0.00
7	A₂	1228	1228	0.00
8	A₂	925	925	0.00
9	B₁	3326	3326	0.92
10	B₁	988	988	3.67
11	B₁	855	855	0.52
12	B₂	3223	3223	5.89
13	B₂	1504	1504	0.37
14	B₂	1105	1105	26.39
15	B₂	723	723	0.56

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.861
C2	0.000	0.741	-0.791
C3	0.000	-0.741	-0.791
H4	-0.911	1.247	-1.070
H5	0.911	1.247	-1.070
H6	0.911	-1.247	-1.070
H7	-0.911	-1.247	-1.070

	S1	C2	C3	H4	H5	H6	H7
S1		1.8103	1.8103	2.4727	2.4727	2.4727	2.4727
C2	1.8103		1.4828	1.0793	1.0793	2.2055	2.2055
C3	1.8103	1.4828		2.2055	2.2055	1.0793	1.0793
H4	2.4727	1.0793	2.2055		1.8229	3.0900	2.4950
H5	2.4727	1.0793	2.2055	1.8229		2.4950	3.0900
H6	2.4727	2.2055	1.0793	3.0900	2.4950		1.8229
H7	2.4727	2.2055	1.0793	2.4950	3.0900	1.8229

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.823	S1	C2	H4	115.339
S1	C2	H5	115.339	S1	C3	C2	65.823
S1	C3	H6	115.339	S1	C3	H7	115.339
C2	S1	C3	48.355	C2	C3	H6	117.963
C2	C3	H7	117.963	C3	C2	H4	117.963
C3	C2	H5	117.963	H4	C2	H5	115.245
H6	C3	H7	115.245

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP3=FULL/6-31G(2df,p)

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: MP3=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)