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	hartrees
Energy at 0K	-474.414487
Energy at 298.15K	-474.418375
HF Energy	-474.414487
Nuclear repulsion energy	93.351498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3241	3070	1.92
2	A'	3138	2972	1.20
3	A'	3125	2960	2.63
4	A'	2759	2613	4.51
5	A'	1703	1613	30.46
6	A'	1488	1410	7.67
7	A'	1347	1276	1.17
8	A'	1132	1073	26.03
9	A'	946	896	9.29
10	A'	704	667	16.95
11	A'	400	378	3.36
12	A"	1022	968	6.39
13	A"	960	909	87.19
14	A"	619	586	14.79
15	A"	397	376	21.90

Atom	x (Å)	y (Å)
C1	1.290	1.091
C2	0.000	0.766
S3	-0.695	-0.853
H4	2.077	0.345
H5	1.597	2.131
H6	-0.768	1.534
H7	0.473	-1.514

	C1	C2	S3	H4	H5	H6	H7
C1		1.3304	2.7785	1.0850	1.0839	2.1051	2.7309
C2	1.3304		1.7621	2.1198	2.1003	1.0859	2.3295
S3	2.7785	1.7621		3.0201	3.7623	2.3882	1.3426
H4	1.0850	2.1198	3.0201		1.8497	3.0839	2.4558
H5	1.0839	2.1003	3.7623	1.8497		2.4387	3.8147
H6	2.1051	1.0859	2.3882	3.0839	2.4387		3.2917
H7	2.7309	2.3295	1.3426	2.4558	3.8147	3.2917

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.367	C1	C2	H6	120.863
C2	C1	H4	122.390	C2	C1	H5	120.566
C2	S3	H7	96.299	S3	C2	H6	111.770
H4	C1	H5	117.044

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	-0.400
2	C	-0.408
3	S	0.023
4	H	0.197
5	H	0.215
6	H	0.242
7	H	0.131

	x	y	z	Total
	1.046	0.397	0.000	1.119
CHELPG
AIM
ESP

	x	y	z
x	6.519	1.308	0.000
y	1.308	6.158	0.000
z	0.000	0.000	2.124

<r²>	73.204
(<r²>)^1/2	8.556

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)