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	hartrees
Energy at 0K	-476.075930
Energy at 298.15K	-476.080330
HF Energy	-475.576104
Nuclear repulsion energy	99.684292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3137	3059
2	A₁	1483	1446
3	A₁	1137	1108
4	A₁	1031	1005
5	A₁	622	607
6	A₂	3227	3147
7	A₂	1183	1154
8	A₂	881	859
9	B₁	3242	3162
10	B₁	941	918
11	B₁	822	802
12	B₂	3132	3054
13	B₂	1451	1415
14	B₂	1042	1017
15	B₂	643	627

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.881
C2	0.000	0.747	-0.814
C3	0.000	-0.747	-0.814
H4	-0.927	1.263	-1.083
H5	0.927	1.263	-1.083
H6	0.927	-1.263	-1.083
H7	-0.927	-1.263	-1.083

	S1	C2	C3	H4	H5	H6	H7
S1		1.8528	1.8528	2.5128	2.5128	2.5128	2.5128
C2	1.8528		1.4948	1.0946	1.0946	2.2303	2.2303
C3	1.8528	1.4948		2.2303	2.2303	1.0946	1.0946
H4	2.5128	1.0946	2.2303		1.8545	3.1337	2.5261
H5	2.5128	1.0946	2.2303	1.8545		2.5261	3.1337
H6	2.5128	2.2303	1.0946	3.1337	2.5261		1.8545
H7	2.5128	2.2303	1.0946	2.5261	3.1337	1.8545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	66.209	S1	C2	H4	114.522
S1	C2	H5	114.522	S1	C3	C2	66.209
S1	C3	H6	114.522	S1	C3	H7	114.522
C2	S1	C3	47.581	C2	C3	H6	118.105
C2	C3	H7	118.105	C3	C2	H4	118.105
C3	C2	H5	118.105	H4	C2	H5	115.799
H6	C3	H7	115.799

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: MP4=FULL/aug-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: MP4=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)