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	hartrees
Energy at 0K	-476.474818
Energy at 298.15K	-476.478440
HF Energy	-476.474818
Nuclear repulsion energy	92.557458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3142	8.33
2	A'	3124	3079	2.38
3	A'	3100	3056	3.11
4	A'	2620	2583	14.12
5	A'	1629	1606	42.43
6	A'	1400	1380	8.31
7	A'	1279	1260	0.74
8	A'	1060	1045	26.88
9	A'	878	865	5.71
10	A'	689	679	18.49
11	A'	370	365	3.65
12	A"	953	939	25.42
13	A"	822	810	41.48
14	A"	585	577	12.93
15	A"	293	288	19.49

Atom	x (Å)	y (Å)
C1	1.298	1.114
C2	0.000	0.764
S3	-0.698	-0.862
H4	2.108	0.377
H5	1.581	2.170
H6	-0.788	1.526
H7	0.480	-1.544

	C1	C2	S3	H4	H5	H6	H7
C1		1.3441	2.8087	1.0950	1.0936	2.1261	2.7805
C2	1.3441		1.7699	2.1432	2.1158	1.0961	2.3572
S3	2.8087	1.7699		3.0676	3.7934	2.3901	1.3610
H4	1.0950	2.1432	3.0676		1.8687	3.1155	2.5179
H5	1.0936	2.1158	3.7934	1.8687		2.4549	3.8735
H6	2.1261	1.0961	2.3901	3.1155	2.4549		3.3214
H7	2.7805	2.3572	1.3610	2.5179	3.8735	3.3214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	128.310	C1	C2	H6	120.877
C2	C1	H4	122.642	C2	C1	H5	120.091
C2	S3	H7	96.813	S3	C2	H6	110.814
H4	C1	H5	117.266

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: PBEPBE/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	-0.338
2	C	-0.267
3	S	-0.009
4	H	0.150
5	H	0.164
6	H	0.188
7	H	0.112

	x	y	z	Total
	0.937	0.294	0.000	0.982
CHELPG
AIM
ESP

	x	y	z
x	6.967	1.512	0.000
y	1.512	6.867	0.000
z	0.000	0.000	2.708

<r²>	74.147
(<r²>)^1/2	8.611

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)