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	hartrees
Energy at 0K	-476.149296
Energy at 298.15K	-476.152990
HF Energy	-475.611529
Nuclear repulsion energy	93.365528

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3271	3054	6.07
2	A'	3212	2999	2.60
3	A'	3178	2967	1.94
4	A'	2736	2554	1.67
5	A'	1692	1580	29.15
6	A'	1453	1357	7.65
7	A'	1324	1237	2.34
8	A'	1100	1027	18.95
9	A'	910	850	4.65
10	A'	716	669	14.29
11	A'	379	354	3.80
12	A"	1011	944	20.71
13	A"	918	857	41.19
14	A"	609	568	12.90
15	A"	253	236	12.58

Atom	x (Å)	y (Å)
C1	1.288	1.097
C2	0.000	0.767
S3	-0.693	-0.855
H4	2.074	0.354
H5	1.581	2.137
H6	-0.765	1.532
H7	0.469	-1.520

	C1	C2	S3	H4	H5	H6	H7
C1		1.3301	2.7817	1.0811	1.0799	2.0988	2.7427
C2	1.3301		1.7638	2.1143	2.0917	1.0818	2.3347
S3	2.7817	1.7638		3.0195	3.7578	2.3879	1.3390
H4	1.0811	2.1143	3.0195		1.8496	3.0732	2.4674
H5	1.0799	2.0917	3.7578	1.8496		2.4223	3.8223
H6	2.0988	1.0818	2.3879	3.0732	2.4223		3.2920
H7	2.7427	2.3347	1.3390	2.4674	3.8223	3.2920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.520	C1	C2	H6	120.620
C2	C1	H4	122.202	C2	C1	H5	120.078
C2	S3	H7	96.645	S3	C2	H6	111.860
H4	C1	H5	117.720

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: CCD/cc-pVTZ

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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All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: CCD/cc-pVTZ

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)