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	hartrees
Energy at 0K	-835.894322
Energy at 298.15K
HF Energy	-835.310023
Nuclear repulsion energy	149.002937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3177	3040	4.21
2	A	3162	3026	4.24
3	A	3070	2938	15.66
4	A	2697	2581	2.07
5	A	1508	1443	7.49
6	A	1488	1424	8.16
7	A	1377	1318	3.10
8	A	1000	957	5.00
9	A	996	953	1.91
10	A	902	863	4.32
11	A	731	700	0.92
12	A	525	502	0.45
13	A	314	300	12.40
14	A	244	233	0.12
15	A	174	167	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	-1.630	0.696	-0.005
S2	-0.483	-0.710	0.014
S3	1.349	0.243	-0.087
H4	1.541	0.432	1.229
H5	-1.470	1.301	-0.894
H6	-2.633	0.270	-0.028
H7	-1.511	1.299	0.891

	C1	S2	S3	H4	H5	H6	H7
C1		1.8143	3.0136	3.4126	1.0868	1.0900	1.0871
S2	1.8143		2.0671	2.6222	2.4169	2.3629	2.4216
S3	3.0136	2.0671		1.3428	3.1168	3.9818	3.2016
H4	3.4126	2.6222	1.3428		3.7850	4.3618	3.1909
H5	1.0868	2.4169	3.1168	3.7850		1.7791	1.7855
H6	1.0900	2.3629	3.9818	4.3618	1.7791		1.7784
H7	1.0871	2.4216	3.2016	3.1909	1.7855	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.674	S2	C1	H5	110.305
S2	C1	H6	106.197	S2	C1	H7	110.639
S2	S3	H4	98.287	H5	C1	H6	109.633
H5	C1	H7	110.432	H6	C1	H7	109.542

All results from a given calculation for CH₃SSH (Hydrogen methyl disulfide)

using model chemistry: CCD/aug-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 CH3SSH (Hydrogen methyl disulfide)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃SSH (Hydrogen methyl disulfide)