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	hartrees
Energy at 0K	-836.960475
Energy at 298.15K
HF Energy	-836.960475
Nuclear repulsion energy	147.567395

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	3146	3146	9.49	62.56	0.75	0.86
2	A	3130	3130	8.47	98.87	0.74	0.85
3	A	3042	3042	20.33	170.52	0.02	0.05
4	A	2630	2630	10.12	166.11	0.28	0.44
5	A	1488	1488	10.98	10.37	0.74	0.85
6	A	1472	1472	8.48	12.30	0.75	0.86
7	A	1363	1363	5.85	2.11	0.59	0.74
8	A	985	985	8.79	3.44	0.60	0.75
9	A	981	981	8.08	3.39	0.65	0.79
10	A	866	866	8.29	22.58	0.57	0.72
11	A	684	684	1.83	12.61	0.33	0.49
12	A	480	480	1.06	15.98	0.30	0.46
13	A	334	334	20.08	9.42	0.75	0.86
14	A	230	230	0.46	4.22	0.61	0.76
15	A	178	178	0.72	0.02	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-1.653	0.698	-0.005
S2	-0.489	-0.711	0.014
S3	1.367	0.243	-0.088
H4	1.577	0.434	1.235
H5	-1.492	1.315	-0.888
H6	-2.650	0.252	-0.046
H7	-1.558	1.296	0.902

	C1	S2	S3	H4	H5	H6	H7
C1		1.8275	3.0548	3.4690	1.0896	1.0930	1.0902
S2	1.8275		2.0896	2.6586	2.4343	2.3660	2.4411
S3	3.0548	2.0896		1.3526	3.1567	4.0167	3.2627
H4	3.4690	2.6586	1.3526		3.8345	4.4197	3.2684
H5	1.0896	2.4343	3.1567	3.8345		1.7829	1.7919
H6	1.0930	2.3660	4.0167	4.4197	1.7829		1.7831
H7	1.0902	2.4411	3.2627	3.2684	1.7919	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S2	S3	102.286	S2	C1	H5	110.567
S2	C1	H6	105.441	S2	C1	H7	111.047
S2	S3	H4	98.872	H5	C1	H6	109.549
H5	C1	H7	110.583	H6	C1	H7	109.519

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

using model chemistry: TPSSh/6-311G**

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	-0.456
2	S	-0.010
3	S	-0.105
4	H	0.097
5	H	0.167
6	H	0.153
7	H	0.154

	x	y	z	Total
	-1.104	1.398	1.000	2.043
CHELPG
AIM
ESP

	x	y	z
x	9.374	0.413	0.107
y	0.413	6.201	0.071
z	0.107	0.071	5.154

<r²>	104.069
(<r²>)^1/2	10.201

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

using model chemistry: TPSSh/6-311G**

States and conformations

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