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	hartrees
Energy at 0K	-835.220068
Energy at 298.15K
HF Energy	-835.220068
Nuclear repulsion energy	149.234420

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	3315	2992	10.27	62.23	0.75	0.86
2	A	3298	2977	8.38	88.31	0.75	0.86
3	A	3208	2895	25.91	124.30	0.02	0.04
4	A	2869	2590	10.96	159.61	0.34	0.51
5	A	1610	1453	8.85	13.50	0.73	0.84
6	A	1592	1437	8.14	19.54	0.75	0.86
7	A	1499	1353	7.98	1.50	0.43	0.60
8	A	1085	979	10.19	5.30	0.49	0.66
9	A	1077	972	1.88	5.29	0.75	0.86
10	A	994	897	11.16	20.76	0.71	0.83
11	A	769	694	1.84	20.78	0.40	0.58
12	A	561	506	1.00	35.77	0.27	0.42
13	A	329	297	22.29	8.47	0.75	0.86
14	A	262	237	0.11	4.75	0.61	0.76
15	A	190	172	0.61	0.04	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.646	0.682	-0.006
S2	-0.475	-0.703	0.015
S3	1.351	0.243	-0.087
H4	1.561	0.453	1.209
H5	-1.507	1.288	-0.890
H6	-2.635	0.239	-0.025
H7	-1.546	1.291	0.882

	C1	S2	S3	H4	H5	H6	H7
C1		1.8137	3.0302	3.4378	1.0807	1.0836	1.0812
S2	1.8137		2.0589	2.6284	2.4181	2.3571	2.4231
S3	3.0302	2.0589		1.3294	3.1473	3.9866	3.2291
H4	3.4378	2.6284	1.3294		3.8104	4.3797	3.2349
H5	1.0807	2.4181	3.1473	3.8104		1.7661	1.7723
H6	1.0836	2.3571	3.9866	4.3797	1.7661		1.7648
H7	1.0812	2.4231	3.2291	3.2349	1.7723	1.7648

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	102.790	S2	C1	H5	110.763
S2	C1	H6	106.132	S2	C1	H7	111.120
S2	S3	H4	99.483	H5	C1	H6	109.380
H5	C1	H7	110.128	H6	C1	H7	109.220

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

using model chemistry: HF/6-31G**

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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Number	Element	Mulliken
1	C	-0.489
2	S	0.035
3	S	-0.087
4	H	0.068
5	H	0.164
6	H	0.156
7	H	0.153

	x	y	z	Total
	-1.155	1.454	1.013	2.115
CHELPG
AIM
ESP

	x	y	z
x	8.478	0.472	0.221
y	0.472	5.414	0.124
z	0.221	0.124	4.803

<r²>	102.491
(<r²>)^1/2	10.124

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

using model chemistry: HF/6-31G**

States and conformations

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