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	hartrees
Energy at 0K	-476.545440
Energy at 298.15K	-476.549906
HF Energy	-476.402435
Nuclear repulsion energy	100.840355

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3177	3021	12.32
2	A₁	1532	1457	5.49
3	A₁	1163	1106	4.16
4	A₁	1074	1022	0.84
5	A₁	644	612	26.70
6	A₂	3262	3102	0.00
7	A₂	1212	1152	0.00
8	A₂	923	877	0.00
9	B₁	3275	3114	4.55
10	B₁	976	929	4.45
11	B₁	850	809	0.67
12	B₂	3175	3019	10.66
13	B₂	1503	1430	0.32
14	B₂	1103	1049	41.59
15	B₂	679	645	1.41

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.870
C2	0.000	0.741	-0.801
C3	0.000	-0.741	-0.801
H4	-0.913	1.253	-1.080
H5	0.913	1.253	-1.080
H6	0.913	-1.253	-1.080
H7	-0.913	-1.253	-1.080

	S1	C2	C3	H4	H5	H6	H7
S1		1.8281	1.8281	2.4912	2.4912	2.4912	2.4912
C2	1.8281		1.4819	1.0833	1.0833	2.2104	2.2104
C3	1.8281	1.4819		2.2104	2.2104	1.0833	1.0833
H4	2.4912	1.0833	2.2104		1.8266	3.1003	2.5051
H5	2.4912	1.0833	2.2104	1.8266		2.5051	3.1003
H6	2.4912	2.2104	1.0833	3.1003	2.5051		1.8266
H7	2.4912	2.2104	1.0833	2.5051	3.1003	1.8266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.089	S1	C2	H4	115.261
S1	C2	H5	115.261	S1	C3	C2	66.089
S1	C3	H6	115.261	S1	C3	H7	115.261
C2	S1	C3	47.822	C2	C3	H6	118.180
C2	C3	H7	118.180	C3	C2	H4	118.180
C3	C2	H5	118.180	H4	C2	H5	114.925
H6	C3	H7	114.925

All results from a given calculation for C₂H₄S (Thiirane)

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

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/6-31+G**

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)