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	hartrees
Energy at 0K	-475.995874
Energy at 298.15K	-476.000351
HF Energy	-475.570461
Nuclear repulsion energy	100.604729

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	3023	8.91
2	A₁	1501	1426	2.93
3	A₁	1169	1111	2.40
4	A₁	1054	1002	0.86
5	A₁	671	638	18.15
6	A₂	3276	3113	0.00
7	A₂	1194	1135	0.00
8	A₂	906	861	0.00
9	B₁	3289	3126	3.91
10	B₁	965	917	4.29
11	B₁	838	797	0.20
12	B₂	3177	3019	8.98
13	B₂	1468	1395	0.37
14	B₂	1069	1016	26.17
15	B₂	698	664	0.72

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.870
C2	0.000	0.744	-0.799
C3	0.000	-0.744	-0.799
H4	-0.924	1.258	-1.080
H5	0.924	1.258	-1.080
H6	0.924	-1.258	-1.080
H7	-0.924	-1.258	-1.080

	S1	C2	C3	H4	H5	H6	H7
S1		1.8275	1.8275	2.4979	2.4979	2.4979	2.4979
C2	1.8275		1.4886	1.0941	1.0941	2.2234	2.2234
C3	1.8275	1.4886		2.2234	2.2234	1.0941	1.0941
H4	2.4979	1.0941	2.2234		1.8481	3.1225	2.5168
H5	2.4979	1.0941	2.2234	1.8481		2.5168	3.1225
H6	2.4979	2.2234	1.0941	3.1225	2.5168		1.8481
H7	2.4979	2.2234	1.0941	2.5168	3.1225	1.8481

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.965	S1	C2	H4	115.204
S1	C2	H5	115.204	S1	C3	C2	65.965
S1	C3	H6	115.204	S1	C3	H7	115.204
C2	S1	C3	48.070	C2	C3	H6	118.027
C2	C3	H7	118.027	C3	C2	H4	118.027
C3	C2	H5	118.027	H4	C2	H5	115.252
H6	C3	H7	115.252

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP2=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)