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	hartrees
Energy at 0K	-476.527155
Energy at 298.15K	-476.531626
HF Energy	-476.393627
Nuclear repulsion energy	100.818183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3179	3015	11.73
2	A₁	1548	1468	5.92
3	A₁	1176	1115	3.55
4	A₁	1079	1023	0.32
5	A₁	650	617	25.40
6	A₂	3261	3092	0.00
7	A₂	1225	1161	0.00
8	A₂	932	884	0.00
9	B₁	3274	3105	6.35
10	B₁	990	939	5.45
11	B₁	859	815	0.42
12	B₂	3177	3013	12.24
13	B₂	1520	1442	0.13
14	B₂	1107	1050	37.30
15	B₂	682	647	0.40

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.871
C2	0.000	0.740	-0.801
C3	0.000	-0.740	-0.801
H4	-0.915	1.253	-1.081
H5	0.915	1.253	-1.081
H6	0.915	-1.253	-1.081
H7	-0.915	-1.253	-1.081

	S1	C2	C3	H4	H5	H6	H7
S1		1.8283	1.8283	2.4929	2.4929	2.4929	2.4929
C2	1.8283		1.4801	1.0852	1.0852	2.2105	2.2105
C3	1.8283	1.4801		2.2105	2.2105	1.0852	1.0852
H4	2.4929	1.0852	2.2105		1.8292	3.1024	2.5058
H5	2.4929	1.0852	2.2105	1.8292		2.5058	3.1024
H6	2.4929	2.2105	1.0852	3.1024	2.5058		1.8292
H7	2.4929	2.2105	1.0852	2.5058	3.1024	1.8292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.124	S1	C2	H4	115.268
S1	C2	H5	115.268	S1	C3	C2	66.124
S1	C3	H6	115.268	S1	C3	H7	115.268
C2	S1	C3	47.752	C2	C3	H6	118.202
C2	C3	H7	118.202	C3	C2	H4	118.202
C3	C2	H5	118.202	H4	C2	H5	114.872
H6	C3	H7	114.872

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: B2PLYP=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: B2PLYP=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)