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	hartrees
Energy at 0K	-476.569503
Energy at 298.15K
HF Energy	-476.422241
Nuclear repulsion energy	92.661821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3146	5.97
2	A'	3205	3084	1.79
3	A'	3170	3051	1.94
4	A'	2694	2593	1.34
5	A'	1648	1586	49.63
6	A'	1424	1371	9.36
7	A'	1302	1253	1.46
8	A'	1080	1039	21.87
9	A'	890	857	4.11
10	A'	700	674	19.51
11	A'	378	364	3.81
12	A"	983	945	22.10
13	A"	900	866	41.27
14	A"	603	581	16.28
15	A"	269	259	11.11

Atom	x (Å)	y (Å)
C1	1.298	1.110
C2	0.000	0.768
S3	-0.697	-0.862
H4	2.097	0.368
H5	1.583	2.161
H6	-0.779	1.532
H7	0.472	-1.543

	C1	C2	S3	H4	H5	H6	H7
C1		1.3419	2.8047	1.0901	1.0891	2.1197	2.7784
C2	1.3419		1.7727	2.1347	2.1082	1.0916	2.3589
S3	2.8047	1.7727		3.0530	3.7860	2.3953	1.3534
H4	1.0901	2.1347	3.0530		1.8648	3.1029	2.5089
H5	1.0891	2.1082	3.7860	1.8648		2.4443	3.8670
H6	2.1197	1.0916	2.3953	3.1029	2.4443		3.3203
H7	2.7784	2.3589	1.3534	2.5089	3.8670	3.3203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	S3	127.913	C1	C2	H6	120.821
C2	C1	H4	122.404	C2	C1	H5	119.910
C2	S3	H7	97.071	S3	C2	H6	111.266
H4	C1	H5	117.686

All results from a given calculation for CH₂CHSH (Ethenethiol)

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

States and conformations

All results from a given calculation for CH₂CHSH (Ethenethiol)