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	hartrees
Energy at 0K	-476.054384
Energy at 298.15K	-476.058034
HF Energy	-475.576379
Nuclear repulsion energy	92.384261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3265	7.74
2	A'	3205	3205	2.62
3	A'	3167	3167	2.58
4	A'	2712	2712	2.53
5	A'	1668	1668	34.07
6	A'	1432	1432	7.90
7	A'	1302	1302	2.47
8	A'	1086	1086	19.44
9	A'	897	897	4.16
10	A'	705	705	15.35
11	A'	376	376	3.86
12	A"	977	977	23.16
13	A"	901	901	35.03
14	A"	596	596	14.78
15	A"	244	244	10.74

Atom	x (Å)	y (Å)
C1	1.305	1.108
C2	0.000	0.772
S3	-0.702	-0.863
H4	2.102	0.358
H5	1.598	2.160
H6	-0.775	1.545
H7	0.470	-1.539

	C1	C2	S3	H4	H5	H6	H7
C1		1.3475	2.8122	1.0939	1.0927	2.1259	2.7758
C2	1.3475		1.7788	2.1421	2.1169	1.0948	2.3587
S3	2.8122	1.7788		3.0575	3.7982	2.4085	1.3528
H4	1.0939	2.1421	3.0575		1.8713	3.1123	2.5028
H5	1.0927	2.1169	3.7982	1.8713		2.4519	3.8680
H6	2.1259	1.0948	2.4085	3.1123	2.4519		3.3261
H7	2.7758	2.3587	1.3528	2.5028	3.8680	3.3261

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.652	C1	C2	H6	120.670
C2	C1	H4	122.321	C2	C1	H5	119.974
C2	S3	H7	96.796	S3	C2	H6	111.677
H4	C1	H5	117.705

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: CCSD=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 CH2CHSH (Ethenethiol)

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

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)