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	hartrees
Energy at 0K	-476.569508
Energy at 298.15K	-476.573196
HF Energy	-476.422245
Nuclear repulsion energy	92.661501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3144	6.00
2	A'	3206	3083	1.79
3	A'	3171	3049	1.93
4	A'	2698	2595	1.35
5	A'	1648	1585	49.62
6	A'	1424	1370	9.36
7	A'	1302	1252	1.46
8	A'	1080	1039	21.86
9	A'	891	857	4.07
10	A'	700	673	19.55
11	A'	378	364	3.80
12	A"	983	945	21.86
13	A"	900	865	41.54
14	A"	604	581	16.24
15	A"	270	260	11.09

Atom	x (Å)	y (Å)
C1	1.298	1.109
C2	0.000	0.768
S3	-0.697	-0.862
H4	2.097	0.368
H5	1.583	2.161
H6	-0.779	1.533
H7	0.472	-1.543

	C1	C2	S3	H4	H5	H6	H7
C1		1.3419	2.8046	1.0901	1.0891	2.1198	2.7778
C2	1.3419		1.7727	2.1347	2.1082	1.0916	2.3587
S3	2.8046	1.7727		3.0527	3.7860	2.3955	1.3534
H4	1.0901	2.1347	3.0527		1.8648	3.1030	2.5081
H5	1.0891	2.1082	3.7860	1.8648		2.4444	3.8664
H6	2.1198	1.0916	2.3955	3.1030	2.4444		3.3202
H7	2.7778	2.3587	1.3534	2.5081	3.8664	3.3202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.898	C1	C2	H6	120.827
C2	C1	H4	122.404	C2	C1	H5	119.913
C2	S3	H7	97.053	S3	C2	H6	111.275
H4	C1	H5	117.683

All results from a given calculation for CH₂CHSH (Ethenethiol)

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for CH2CHSH (Ethenethiol)

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)