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	hartrees
Energy at 0K	-476.558979
Energy at 298.15K	-476.562655
HF Energy	-476.426143
Nuclear repulsion energy	93.074582

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3256	3256	11.37
2	A'	3198	3198	3.55
3	A'	3164	3164	3.97
4	A'	2654	2654	8.26
5	A'	1661	1661	41.52
6	A'	1448	1448	9.53
7	A'	1329	1329	0.73
8	A'	1104	1104	30.31
9	A'	919	919	6.88
10	A'	703	703	20.16
11	A'	384	384	4.21
12	A"	991	991	29.82
13	A"	866	866	49.25
14	A"	599	599	17.93
15	A"	265	265	19.76

Atom	x (Å)	y (Å)
C1	1.288	1.110
C2	0.000	0.764
S3	-0.693	-0.861
H4	2.090	0.380
H5	1.570	2.155
H6	-0.777	1.521
H7	0.476	-1.532

	C1	C2	S3	H4	H5	H6	H7
C1		1.3340	2.7945	1.0842	1.0827	2.1058	2.7639
C2	1.3340		1.7661	2.1248	2.0981	1.0847	2.3444
S3	2.7945	1.7661		3.0468	3.7707	2.3829	1.3478
H4	1.0842	2.1248	3.0468		1.8499	3.0855	2.5019
H5	1.0827	2.0981	3.7707	1.8499		2.4315	3.8461
H6	2.1058	1.0847	2.3829	3.0855	2.4315		3.2996
H7	2.7639	2.3444	1.3478	2.5019	3.8461	3.2996

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	128.143	C1	C2	H6	120.711
C2	C1	H4	122.629	C2	C1	H5	120.134
C2	S3	H7	96.762	S3	C2	H6	111.147
H4	C1	H5	117.237

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B2PLYP/6-311G*

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	-0.442
2	C	-0.341
3	S	-0.036
4	H	0.208
5	H	0.220
6	H	0.241
7	H	0.150

	x	y	z	Total
	0.984	0.328	0.000	1.038
CHELPG
AIM
ESP

	x	y	z
x	7.184	1.560	0.000
y	1.560	6.921	0.000
z	0.000	0.000	2.878

<r²>	73.997
(<r²>)^1/2	8.602

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: B2PLYP/6-311G*

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)