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	hartrees
Energy at 0K	-473.401057
Energy at 298.15K	-473.405406
HF Energy	-473.156259
Nuclear repulsion energy	96.992936

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3229	3040	2.49
2	A₁	1565	1473	2.87
3	A₁	1127	1061	0.16
4	A₁	1087	1023	4.39
5	A₁	556	524	24.06
6	A₂	3312	3118	0.00
7	A₂	1260	1186	0.00
8	A₂	859	808	0.00
9	B₁	3330	3135	1.48
10	B₁	932	878	1.28
11	B₁	875	823	3.44
12	B₂	3221	3032	3.41
13	B₂	1543	1452	5.44
14	B₂	1122	1056	45.96
15	B₂	577	543	0.15

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.931
C2	0.000	0.743	-0.869
C3	0.000	-0.743	-0.869
H4	-0.918	1.256	-1.117
H5	0.918	1.256	-1.117
H6	0.918	-1.256	-1.117
H7	-0.918	-1.256	-1.117

	S1	C2	C3	H4	H5	H6	H7
S1		1.9469	1.9469	2.5724	2.5724	2.5724	2.5724
C2	1.9469		1.4861	1.0811	1.0811	2.2143	2.2143
C3	1.9469	1.4861		2.2143	2.2143	1.0811	1.0811
H4	2.5724	1.0811	2.2143		1.8367	3.1125	2.5128
H5	2.5724	1.0811	2.2143	1.8367		2.5128	3.1125
H6	2.5724	2.2143	1.0811	3.1125	2.5128		1.8367
H7	2.5724	2.2143	1.0811	2.5128	3.1125	1.8367

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	C2	C3	67.564	S1	C2	H4	113.195
S1	C2	H5	113.195	S1	C3	C2	67.564
S1	C3	H6	113.195	S1	C3	H7	113.195
C2	S1	C3	44.873	C2	C3	H6	118.351
C2	C3	H7	118.351	C3	C2	H4	118.351
C3	C2	H5	118.351	H4	C2	H5	116.307
H6	C3	H7	116.307

All results from a given calculation for C₂H₄S (Thiirane)

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

All results from a given calculation for C₂H₄S (Thiirane)