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	hartrees
Energy at 0K	-476.729601
Energy at 298.15K	-476.733379
HF Energy	-476.729601
Nuclear repulsion energy	93.102482

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3269	3.16
2	A'	3195	3195	1.24
3	A'	3161	3161	1.49
4	A'	2741	2741	0.68
5	A'	1689	1689	52.23
6	A'	1414	1414	8.71
7	A'	1294	1294	2.52
8	A'	1078	1078	21.01
9	A'	894	894	3.86
10	A'	705	705	21.36
11	A'	384	384	3.79
12	A"	984	984	11.24
13	A"	921	921	55.47
14	A"	602	602	14.46
15	A"	335	335	11.43

Atom	x (Å)	y (Å)
C1	1.293	1.095
C2	0.000	0.768
S3	-0.695	-0.855
H4	2.082	0.344
H5	1.587	2.143
H6	-0.775	1.536
H7	0.478	-1.526

	C1	C2	S3	H4	H5	H6	H7
C1		1.3334	2.7849	1.0897	1.0883	2.1135	2.7451
C2	1.3334		1.7652	2.1246	2.1004	1.0911	2.3427
S3	2.7849	1.7652		3.0253	3.7682	2.3922	1.3515
H4	1.0897	2.1246	3.0253		1.8655	3.0951	2.4641
H5	1.0883	2.1004	3.7682	1.8655		2.4387	3.8331
H6	2.1135	1.0911	2.3922	3.0951	2.4387		3.3081
H7	2.7451	2.3427	1.3515	2.4641	3.8331	3.3081

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.435	C1	C2	H6	120.991
C2	C1	H4	122.195	C2	C1	H5	119.954
C2	S3	H7	96.568	S3	C2	H6	111.574
H4	C1	H5	117.851

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	C	0.631
2	C	0.712
3	S	0.293
4	H	-0.547
5	H	-0.429
6	H	-0.625
7	H	-0.034

	x	y	z	Total
	0.822	0.350	0.000	0.894
CHELPG
AIM
ESP

	x	y	z
x	8.124	1.608	0.000
y	1.608	8.014	0.000
z	0.000	0.000	5.368

<r²>	73.665
(<r²>)^1/2	8.583

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)