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	hartrees
Energy at 0K	-476.414934
Energy at 298.15K
HF Energy	-476.331972
Nuclear repulsion energy	91.168313

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3278	3278	12.87
2	A'	3247	3247	1.56
3	A'	3186	3186	2.34
4	A'	2521	2521	34.49
5	A'	1675	1675	30.12
6	A'	1479	1479	10.44
7	A'	1343	1343	3.57
8	A'	1104	1104	24.74
9	A'	884	884	11.37
10	A'	651	651	18.73
11	A'	380	380	3.76
12	A"	1016	1016	34.76
13	A"	945	945	52.12
14	A"	612	612	14.63
15	A"	239	239	28.37

Atom	x (Å)	y (Å)
C1	1.295	1.146
C2	0.000	0.805
S3	-0.697	-0.893
H4	2.097	0.416
H5	1.586	2.192
H6	-0.796	1.541
H7	0.502	-1.568

	C1	C2	S3	H4	H5	H6	H7
C1		1.3387	2.8509	1.0856	1.0849	2.1271	2.8274
C2	1.3387		1.8361	2.1331	2.1061	1.0839	2.4255
S3	2.8509	1.8361		3.0858	3.8376	2.4365	1.3761
H4	1.0856	2.1331	3.0858		1.8482	3.1042	2.5451
H5	1.0849	2.1061	3.8376	1.8482		2.4684	3.9122
H6	2.1271	1.0839	2.4365	3.1042	2.4684		3.3690
H7	2.8274	2.4255	1.3761	2.5451	3.9122	3.3690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.083	C1	C2	H6	122.467
C2	C1	H4	122.918	C2	C1	H5	120.328
C2	S3	H7	97.030	S3	C2	H6	110.450
H4	C1	H5	116.754

All results from a given calculation for CH₂CHSH (Ethenethiol)

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

using model chemistry: B2PLYP=FULLultrafine/6-31G

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)