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	hartrees
Energy at 0K	-474.362273
Energy at 298.15K	-474.365951
HF Energy	-474.362273
Nuclear repulsion energy	91.915385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	3125	4.51
2	A'	3244	3097	1.06
3	A'	3186	3041	0.87
4	A'	2508	2394	19.82
5	A'	1698	1620	37.12
6	A'	1486	1418	9.97
7	A'	1338	1278	3.12
8	A'	1116	1065	25.94
9	A'	902	861	12.36
10	A'	657	627	22.00
11	A'	387	369	4.02
12	A"	1022	976	28.75
13	A"	959	916	76.14
14	A"	623	595	18.76
15	A"	248	236	31.84

Atom	x (Å)	y (Å)
C1	1.284	1.128
C2	0.000	0.800
S3	-0.693	-0.882
H4	2.079	0.389
H5	1.582	2.170
H6	-0.790	1.541
H7	0.504	-1.552

	C1	C2	S3	H4	H5	H6	H7
C1		1.3255	2.8196	1.0847	1.0840	2.1151	2.7910
C2	1.3255		1.8198	2.1190	2.0929	1.0831	2.4052
S3	2.8196	1.8198		3.0493	3.8071	2.4258	1.3705
H4	1.0847	2.1190	3.0493		1.8487	3.0913	2.4998
H5	1.0840	2.0929	3.8071	1.8487		2.4541	3.8750
H6	2.1151	1.0831	2.4258	3.0913	2.4541		3.3525
H7	2.7910	2.4052	1.3705	2.4998	3.8750	3.3525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	126.679	C1	C2	H6	122.516
C2	C1	H4	122.777	C2	C1	H5	120.263
C2	S3	H7	96.853	S3	C2	H6	110.804
H4	C1	H5	116.960

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: mPW1PW91/3-21G

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	-0.415
2	C	-0.535
3	S	0.135
4	H	0.216
5	H	0.234
6	H	0.269
7	H	0.097

	x	y	z	Total
	1.417	0.570	0.000	1.528
CHELPG
AIM
ESP

	x	y	z
x	6.474	1.248	0.000
y	1.248	6.359	0.000
z	0.000	0.000	1.817

<r²>	75.155
(<r²>)^1/2	8.669

All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: mPW1PW91/3-21G

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)