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	hartrees
Energy at 0K	-476.384298
Energy at 298.15K	-476.388755
HF Energy	-475.604684
Nuclear repulsion energy	101.249166

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3140	3140
2	A₁	1504	1504
3	A₁	1148	1148
4	A₁	1049	1049
5	A₁	645	645
6	A₂	3227	3227
7	A₂	1196	1196
8	A₂	909	909
9	B₁	3240	3240
10	B₁	966	966
11	B₁	834	834
12	B₂	3136	3136
13	B₂	1478	1478
14	B₂	1077	1077
15	B₂	684	684

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.864
C2	0.000	0.741	-0.795
C3	0.000	-0.741	-0.795
H4	-0.915	1.250	-1.071
H5	0.915	1.250	-1.071
H6	0.915	-1.250	-1.071
H7	-0.915	-1.250	-1.071

	S1	C2	C3	H4	H5	H6	H7
S1		1.8175	1.8175	2.4786	2.4786	2.4786	2.4786
C2	1.8175		1.4816	1.0825	1.0825	2.2080	2.2080
C3	1.8175	1.4816		2.2080	2.2080	1.0825	1.0825
H4	2.4786	1.0825	2.2080		1.8298	3.0976	2.4994
H5	2.4786	1.0825	2.2080	1.8298		2.4994	3.0976
H6	2.4786	2.2080	1.0825	3.0976	2.4994		1.8298
H7	2.4786	2.2080	1.0825	2.4994	3.0976	1.8298

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.946	S1	C2	H4	115.082
S1	C2	H5	115.082	S1	C3	C2	65.946
S1	C3	H6	115.082	S1	C3	H7	115.082
C2	S1	C3	48.107	C2	C3	H6	118.041
C2	C3	H7	118.041	C3	C2	H4	118.041
C3	C2	H5	118.041	H4	C2	H5	115.378
H6	C3	H7	115.378

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP4=FULL/6-311+G(3df,2p)

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: MP4=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)