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	hartrees
Energy at 0K	-1274.426091
Energy at 298.15K	-1274.432116
HF Energy	-1274.426091
Nuclear repulsion energy	359.316470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3166	3048	8.61
2	A	3153	3035	0.37
3	A	3058	2943	3.59
4	A	1496	1440	8.42
5	A	1480	1424	9.71
6	A	1365	1314	0.30
7	A	986	949	0.15
8	A	983	946	3.11
9	A	690	664	0.29
10	A	469	452	0.15
11	A	255	245	0.40
12	A	179	172	1.96
13	A	146	141	1.03
14	A	64	62	2.43
15	B	3166	3047	3.53
16	B	3153	3034	6.94
17	B	3058	2943	37.43
18	B	1495	1439	14.39
19	B	1479	1424	10.32
20	B	1367	1316	8.67
21	B	985	948	2.35
22	B	977	940	9.79
23	B	688	663	1.39
24	B	445	428	28.22
25	B	266	256	1.27
26	B	166	160	0.63
27	B	96	93	3.82

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.982
S2	0.000	1.700	-0.113
S3	0.000	-1.700	-0.113
C4	1.706	1.977	-0.632
C5	-1.706	-1.977	-0.632
H6	1.738	3.013	-0.989
H7	-1.738	-3.013	-0.989
H8	2.418	1.870	0.194
H9	2.008	1.320	-1.454
H10	-2.418	-1.870	0.194
H11	-2.008	-1.320	-1.454

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0217	2.0217	3.0697	3.0697	3.9974	3.9974	3.1562	3.4218	3.1562	3.4218
S2	2.0217		3.3991	1.8044	4.0864	2.3475	5.0984	2.4431	2.4442	4.3218	3.8667
S3	2.0217	3.3991		4.0864	1.8044	5.0984	2.3475	4.3218	3.8667	2.4431	2.4442
C4	3.0697	1.8044	4.0864		5.2230	1.0957	6.0736	1.0955	1.0949	5.6995	5.0345
C5	3.0697	4.0864	1.8044	5.2230		6.0736	1.0957	5.6995	5.0345	1.0955	1.0949
H6	3.9974	2.3475	5.0984	1.0957	6.0736		6.9563	1.7798	1.7760	6.5196	5.7470
H7	3.9974	5.0984	2.3475	6.0736	1.0957	6.9563		6.5196	5.7470	1.7798	1.7760
H8	3.1562	2.4431	4.3218	1.0955	5.6995	1.7798	6.5196		1.7844	6.1125	5.6992
H9	3.4218	2.4442	3.8667	1.0949	5.0345	1.7760	5.7470	1.7844		5.6992	4.8071
H10	3.1562	4.3218	2.4431	5.6995	1.0955	6.5196	1.7798	6.1125	5.6992		1.7844
H11	3.4218	3.8667	2.4442	5.0345	1.0949	5.7470	1.7760	5.6992	4.8071	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	106.562	S1	S3	C5	106.562
S2	S1	S3	114.418	S2	C4	H6	105.463
S2	C4	H8	112.500	S2	C4	H9	112.615
S3	C5	H7	105.463	S3	C5	H10	112.500
S3	C5	H11	112.615	H6	C4	H8	108.629
H6	C4	H9	108.330	H7	C5	H10	108.629
H7	C5	H11	108.330	H8	C4	H9	109.102
H10	C5	H11	109.102

All results from a given calculation for CH₃SSSCH₃ (dimethyl trisulfide)

using model chemistry: TPSSh/6-31+G**

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	S	-0.033
2	S	0.026
3	S	0.026
4	C	-0.607
5	C	-0.607
6	H	0.191
7	H	0.191
8	H	0.203
9	H	0.204
10	H	0.203
11	H	0.204

	x	y	z
x	11.692	2.515	0.000
y	2.515	16.322	0.000
z	0.000	0.000	10.366

<r²>	283.979
(<r²>)^1/2	16.852

All results from a given calculation for CH3SSSCH3 (dimethyl trisulfide)

using model chemistry: TPSSh/6-31+G**

States and conformations

All results from a given calculation for CH₃SSSCH₃ (dimethyl trisulfide)