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	hartrees
Energy at 0K	-831.640789
Energy at 298.15K
HF Energy	-831.304846
Nuclear repulsion energy	149.070449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3211	3000	6.26
2	A	3193	2984	4.98
3	A	3116	2912	14.35
4	A	2761	2580	12.48
5	A	1592	1488	10.37
6	A	1576	1473	11.47
7	A	1475	1378	0.95
8	A	1063	994	12.12
9	A	1058	988	4.08
10	A	964	901	8.89
11	A	715	668	0.91
12	A	528	494	0.59
13	A	332	311	21.13
14	A	257	240	0.07
15	A	177	165	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	-1.642	0.689	-0.006
S2	-0.470	-0.713	0.016
S3	1.344	0.247	-0.087
H4	1.546	0.467	1.219
H5	-1.479	1.306	-0.889
H6	-2.645	0.257	-0.044
H7	-1.542	1.293	0.895

	C1	S2	S3	H4	H5	H6	H7
C1		1.8264	3.0187	3.4219	1.0893	1.0927	1.0898
S2	1.8264		2.0546	2.6273	2.4314	2.3816	2.4380
S3	3.0187	2.0546		1.3400	3.1198	3.9886	3.2231
H4	3.4219	2.6273	1.3400		3.7814	4.3816	3.2131
H5	1.0893	2.4314	3.1198	3.7814		1.7814	1.7855
H6	1.0927	2.3816	3.9886	4.3816	1.7814		1.7802
H7	1.0898	2.4380	3.2231	3.2131	1.7855	1.7802

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.962	S2	C1	H5	110.441
S2	C1	H6	106.630	S2	C1	H7	110.907
S2	S3	H4	99.255	H5	C1	H6	109.446
H5	C1	H7	110.043	H6	C1	H7	109.301

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

using model chemistry: CISD/3-21G*

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: CISD/3-21G*

States and conformations

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