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	hartrees
Energy at 0K	-476.319098
Energy at 298.15K	-476.323563
HF Energy	-475.612874
Nuclear repulsion energy	101.386339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3160	3160
2	A₁	1506	1506
3	A₁	1149	1149
4	A₁	1054	1054
5	A₁	647	647
6	A₂	3225	3225
7	A₂	1200	1200
8	A₂	904	904
9	B₁	3240	3240
10	B₁	965	965
11	B₁	835	835
12	B₂	3157	3157
13	B₂	1483	1483
14	B₂	1080	1080
15	B₂	689	689

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.863
C2	0.000	0.741	-0.795
C3	0.000	-0.741	-0.795
H4	-0.912	1.245	-1.069
H5	0.912	1.245	-1.069
H6	0.912	-1.245	-1.069
H7	-0.912	-1.245	-1.069

	S1	C2	C3	H4	H5	H6	H7
S1		1.8161	1.8161	2.4734	2.4734	2.4734	2.4734
C2	1.8161		1.4818	1.0781	1.0781	2.2030	2.2030
C3	1.8161	1.4818		2.2030	2.2030	1.0781	1.0781
H4	2.4734	1.0781	2.2030		1.8249	3.0878	2.4908
H5	2.4734	1.0781	2.2030	1.8249		2.4908	3.0878
H6	2.4734	2.2030	1.0781	3.0878	2.4908		1.8249
H7	2.4734	2.2030	1.0781	2.4908	3.0878	1.8249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	65.922	S1	C2	H4	115.038
S1	C2	H5	115.038	S1	C3	C2	65.922
S1	C3	H6	115.038	S1	C3	H7	115.038
C2	S1	C3	48.155	C2	C3	H6	117.901
C2	C3	H7	117.901	C3	C2	H4	117.901
C3	C2	H5	117.901	H4	C2	H5	115.631
H6	C3	H7	115.631

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP4=FULL/cc-pV(T+d)Z

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/cc-pV(T+d)Z

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)