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	hartrees
Energy at 0K	-835.786339
Energy at 298.15K
HF Energy	-835.240032
Nuclear repulsion energy	150.197470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A	3242	3047	1.48	45.89	0.75	0.86
2	A	3224	3031	1.60	71.18	0.74	0.85
3	A	3118	2931	8.78	113.58	0.03	0.05
4	A	2745	2580	0.92	118.25	0.29	0.45
5	A	1516	1425	7.89	10.03	0.73	0.85
6	A	1499	1409	7.85	14.28	0.75	0.86
7	A	1376	1293	3.30	2.44	0.52	0.69
8	A	1001	941	6.92	3.30	0.52	0.68
9	A	997	937	5.91	3.16	0.63	0.77
10	A	912	857	5.75	15.62	0.61	0.76
11	A	748	703	1.57	9.58	0.27	0.43
12	A	549	516	0.47	11.48	0.18	0.31
13	A	335	315	16.98	3.09	0.75	0.86
14	A	248	233	0.19	4.14	0.57	0.73
15	A	183	172	0.41	0.02	0.69	0.81

Atom	x (Å)	y (Å)	z (Å)
C1	-1.620	0.686	-0.006
S2	-0.473	-0.705	0.015
S3	1.334	0.242	-0.087
H4	1.533	0.447	1.222
H5	-1.464	1.298	-0.890
H6	-2.622	0.257	-0.036
H7	-1.517	1.291	0.891

	C1	S2	S3	H4	H5	H6	H7
C1		1.8032	2.9885	3.3915	1.0864	1.0899	1.0868
S2	1.8032		2.0431	2.6085	2.4111	2.3551	2.4171
S3	2.9885	2.0431		1.3395	3.0967	3.9563	3.1916
H4	3.3915	2.6085	1.3395		3.7635	4.3445	3.1815
H5	1.0864	2.4111	3.0967	3.7635		1.7753	1.7819
H6	1.0899	2.3551	3.9563	4.3445	1.7753		1.7741
H7	1.0868	2.4171	3.1916	3.1815	1.7819	1.7741

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.789	S2	C1	H5	110.651
S2	C1	H6	106.364	S2	C1	H7	111.081
S2	S3	H4	98.786	H5	C1	H6	109.321
H5	C1	H7	110.149	H6	C1	H7	109.182

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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: MP2=FULL/6-31G(2df,p)

States and conformations

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