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	hartrees
Energy at 0K	-476.710562
Energy at 298.15K	-476.714155
HF Energy	-476.710562
Nuclear repulsion energy	92.042060

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3163	3137	12.94
2	A'	3105	3080	3.81
3	A'	3084	3059	4.11
4	A'	2581	2560	18.75
5	A'	1618	1605	38.51
6	A'	1408	1397	9.92
7	A'	1285	1275	1.35
8	A'	1062	1054	25.11
9	A'	879	872	5.34
10	A'	659	654	19.68
11	A'	368	365	3.28
12	A"	955	947	22.67
13	A"	828	822	35.42
14	A"	581	576	10.82
15	A"	282	280	17.84

Atom	x (Å)	y (Å)
C1	1.296	1.131
C2	0.000	0.773
S3	-0.697	-0.874
H4	2.113	0.403
H5	1.575	2.188
H6	-0.795	1.526
H7	0.483	-1.558

	C1	C2	S3	H4	H5	H6	H7
C1		1.3449	2.8273	1.0941	1.0931	2.1286	2.8092
C2	1.3449		1.7887	2.1452	2.1168	1.0951	2.3808
S3	2.8273	1.7887		3.0864	3.8127	2.4023	1.3640
H4	1.0941	2.1452	3.0864		1.8648	3.1176	2.5496
H5	1.0931	2.1168	3.8127	1.8648		2.4604	3.9018
H6	2.1286	1.0951	2.4023	3.1176	2.4604		3.3387
H7	2.8092	2.3808	1.3640	2.5496	3.9018	3.3387

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	128.354	C1	C2	H6	121.138
C2	C1	H4	122.853	C2	C1	H5	120.162
C2	S3	H7	97.161	S3	C2	H6	110.508
H4	C1	H5	116.986

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: BLYP/6-31G*

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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Number	Element	Mulliken
1	C	-0.286
2	C	-0.208
3	S	-0.016
4	H	0.124
5	H	0.135
6	H	0.156
7	H	0.095

	x	y	z	Total
	0.905	0.319	0.000	0.960
CHELPG
AIM
ESP

	x	y	z
x	6.962	1.508	0.000
y	1.508	6.928	0.000
z	0.000	0.000	2.685

<r²>	74.964
(<r²>)^1/2	8.658

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)