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	hartrees
Energy at 0K	-476.038217
Energy at 298.15K	-476.041866
HF Energy	-475.576356
Nuclear repulsion energy	92.344597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	3150	7.58
2	A'	3206	3092	2.67
3	A'	3168	3055	2.34
4	A'	2715	2619	2.12
5	A'	1675	1616	32.18
6	A'	1435	1384	8.01
7	A'	1309	1262	2.59
8	A'	1087	1049	18.54
9	A'	898	866	4.18
10	A'	706	681	15.46
11	A'	379	365	3.80
12	A"	978	944	22.85
13	A"	908	876	35.23
14	A"	595	574	14.98
15	A"	239	231	10.84

Atom	x (Å)	y (Å)
C1	1.305	1.107
C2	0.000	0.774
S3	-0.702	-0.863
H4	2.101	0.356
H5	1.600	2.160
H6	-0.776	1.547
H7	0.471	-1.539

	C1	C2	S3	H4	H5	H6	H7
C1		1.3468	2.8121	1.0945	1.0935	2.1273	2.7749
C2	1.3468		1.7809	2.1420	2.1171	1.0955	2.3607
S3	2.8121	1.7809		3.0560	3.7996	2.4109	1.3533
H4	1.0945	2.1420	3.0560		1.8724	3.1140	2.4999
H5	1.0935	2.1171	3.7996	1.8724		2.4545	3.8680
H6	2.1273	1.0955	2.4109	3.1140	2.4545		3.3285
H7	2.7749	2.3607	1.3533	2.4999	3.8680	3.3285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.527	C1	C2	H6	120.809
C2	C1	H4	122.323	C2	C1	H5	119.992
C2	S3	H7	96.785	S3	C2	H6	111.664
H4	C1	H5	117.685

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: CCD/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 CH2CHSH (Ethenethiol)

using model chemistry: CCD/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)