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	hartrees
Energy at 0K	-476.072966
Energy at 298.15K	-476.076663
HF Energy	-475.562023
Nuclear repulsion energy	93.278545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3302	3127	4.08
2	A'	3241	3070	2.91
3	A'	3208	3039	1.01
4	A'	2756	2610	1.11
5	A'	1699	1609	21.93
6	A'	1458	1381	6.94
7	A'	1330	1260	3.08
8	A'	1105	1046	19.62
9	A'	914	866	5.31
10	A'	720	682	14.12
11	A'	382	362	4.04
12	A"	1019	965	16.76
13	A"	925	876	33.68
14	A"	612	580	10.08
15	A"	254	241	14.95

Atom	x (Å)	y (Å)
C1	1.290	1.096
C2	0.000	0.768
S3	-0.694	-0.855
H4	2.079	0.354
H5	1.587	2.137
H6	-0.771	1.530
H7	0.466	-1.525

	C1	C2	S3	H4	H5	H6	H7
C1		1.3312	2.7829	1.0830	1.0821	2.1059	2.7482
C2	1.3312		1.7652	2.1196	2.0960	1.0840	2.3399
S3	2.7829	1.7652		3.0251	3.7624	2.3867	1.3392
H4	1.0830	2.1196	3.0251		1.8492	3.0826	2.4770
H5	1.0821	2.0960	3.7624	1.8492		2.4346	3.8301
H6	2.1059	1.0840	2.3867	3.0826	2.4346		3.2961
H7	2.7482	2.3399	1.3392	2.4770	3.8301	3.2961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.435	C1	C2	H6	121.022
C2	C1	H4	122.460	C2	C1	H5	120.223
C2	S3	H7	96.875	S3	C2	H6	111.543
H4	C1	H5	117.317

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: CCD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)