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	hartrees
Energy at 0K	-835.882271
Energy at 298.15K
HF Energy	-835.308507
Nuclear repulsion energy	148.988712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3181	2970	5.81
2	A	3166	2956	5.07
3	A	3075	2871	16.78
4	A	2698	2519	3.52
5	A	1502	1403	7.20
6	A	1483	1385	7.63
7	A	1371	1280	3.79
8	A	993	927	5.05
9	A	989	924	2.68
10	A	901	841	4.05
11	A	731	682	1.15
12	A	526	492	0.50
13	A	317	296	13.67
14	A	244	228	0.13
15	A	176	164	0.35

Atom	x (Å)	y (Å)	z (Å)
C1	-1.632	0.694	-0.005
S2	-0.482	-0.710	0.014
S3	1.349	0.243	-0.087
H4	1.542	0.434	1.228
H5	-1.480	1.299	-0.895
H6	-2.634	0.267	-0.023
H7	-1.515	1.302	0.888

	C1	S2	S3	H4	H5	H6	H7
C1		1.8147	3.0157	3.4146	1.0861	1.0894	1.0865
S2	1.8147		2.0666	2.6222	2.4200	2.3636	2.4242
S3	3.0157	2.0666		1.3422	3.1258	3.9834	3.2050
H4	3.4146	2.6222	1.3422		3.7928	4.3621	3.1958
H5	1.0861	2.4200	3.1258	3.7928		1.7762	1.7829
H6	1.0894	2.3636	3.9834	4.3621	1.7762		1.7754
H7	1.0865	2.4242	3.2050	3.1958	1.7829	1.7754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.774	S2	C1	H5	110.552
S2	C1	H6	106.249	S2	C1	H7	110.840
S2	S3	H4	98.330	H5	C1	H6	109.460
H5	C1	H7	110.290	H6	C1	H7	109.357

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

using model chemistry: CCD/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/cc-pVTZ

States and conformations

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