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	hartrees
Energy at 0K	-836.177032
Energy at 298.15K
HF Energy	-835.298575
Nuclear repulsion energy	150.507208

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	3203	3020	2.44	49.85	0.75	0.86
2	A	3189	3006	2.79	71.41	0.74	0.85
3	A	3089	2912	14.12	167.30	0.03	0.05
4	A	2710	2554	1.38	139.31	0.22	0.37
5	A	1503	1417	8.31	4.04	0.70	0.82
6	A	1483	1398	9.29	5.33	0.75	0.86
7	A	1366	1288	1.86	0.93	0.12	0.22
8	A	993	936	4.31	1.03	0.10	0.18
9	A	988	932	3.84	0.74	0.13	0.23
10	A	898	846	5.58	8.81	0.47	0.64
11	A	741	698	1.36	12.24	0.23	0.37
12	A	536	506	0.46	11.25	0.12	0.21
13	A	327	309	12.93	0.45	0.73	0.84
14	A	247	233	0.12	4.50	0.53	0.69
15	A	183	173	0.33	0.02	0.51	0.67

Atom	x (Å)	y (Å)	z (Å)
C1	-1.619	0.683	-0.006
S2	-0.472	-0.702	0.015
S3	1.333	0.241	-0.087
H4	1.529	0.446	1.221
H5	-1.460	1.294	-0.888
H6	-2.617	0.251	-0.039
H7	-1.516	1.284	0.891

	C1	S2	S3	H4	H5	H6	H7
C1		1.7984	2.9853	3.3866	1.0849	1.0882	1.0852
S2	1.7984		2.0386	2.6031	2.4040	2.3482	2.4091
S3	2.9853	2.0386		1.3385	3.0906	3.9500	3.1874
H4	3.3866	2.6031	1.3385		3.7554	4.3375	3.1752
H5	1.0849	2.4040	3.0906	3.7554		1.7742	1.7805
H6	1.0882	2.3482	3.9500	4.3375	1.7742		1.7734
H7	1.0852	2.4091	3.1874	3.1752	1.7805	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	101.978	S2	C1	H5	110.518
S2	C1	H6	106.256	S2	C1	H7	110.894
S2	S3	H4	98.731	H5	C1	H6	109.458
H5	C1	H7	110.258	H6	C1	H7	109.365

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

using model chemistry: MP2=FULL/6-311+G(3df,2p)

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/6-311+G(3df,2p)

States and conformations

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