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	hartrees
Energy at 0K	-1274.561486
Energy at 298.15K	-1274.567512
HF Energy	-1274.561486
Nuclear repulsion energy	361.746030

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3141	3042	8.50
2	A	3125	3026	0.44
3	A	3039	2942	3.89
4	A	1488	1441	5.55
5	A	1470	1423	8.00
6	A	1339	1297	0.76
7	A	970	940	0.13
8	A	967	936	2.96
9	A	687	665	0.26
10	A	483	468	0.08
11	A	254	246	0.17
12	A	175	169	1.73
13	A	141	137	0.57
14	A	63	61	2.14
15	B	3141	3041	3.64
16	B	3125	3026	8.02
17	B	3038	2942	34.81
18	B	1487	1440	10.62
19	B	1469	1423	7.31
20	B	1340	1298	12.79
21	B	970	939	1.72
22	B	961	931	9.64
23	B	685	663	1.36
24	B	460	445	24.22
25	B	267	258	0.71
26	B	157	152	0.45
27	B	96	93	3.46

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.987
S2	0.000	1.690	-0.110
S3	0.000	-1.690	-0.110
C4	1.697	1.959	-0.642
C5	-1.697	-1.959	-0.642
H6	1.729	2.992	-1.000
H7	-1.729	-2.992	-1.000
H8	2.411	1.848	0.177
H9	1.986	1.299	-1.464
H10	-2.411	-1.848	0.177
H11	-1.986	-1.299	-1.464

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0145	2.0145	3.0611	3.0611	3.9862	3.9862	3.1438	3.4109	3.1438	3.4109
S2	2.0145		3.3804	1.7989	4.0595	2.3406	5.0703	2.4335	2.4350	4.2910	3.8355
S3	2.0145	3.3804		4.0595	1.7989	5.0703	2.3406	4.2910	3.8355	2.4335	2.4350
C4	3.0611	1.7989	4.0595		5.1835	1.0940	6.0317	1.0928	1.0926	5.6604	4.9850
C5	3.0611	4.0595	1.7989	5.1835		6.0317	1.0940	5.6604	4.9850	1.0928	1.0926
H6	3.9862	2.3406	5.0703	1.0940	6.0317		6.9120	1.7780	1.7742	6.4773	5.6947
H7	3.9862	5.0703	2.3406	6.0317	1.0940	6.9120		6.4773	5.6947	1.7780	1.7742
H8	3.1438	2.4335	4.2910	1.0928	5.6604	1.7780	6.4773		1.7820	6.0756	5.6504
H9	3.4109	2.4350	3.8355	1.0926	4.9850	1.7742	5.6947	1.7820		5.6504	4.7453
H10	3.1438	4.2910	2.4335	5.6604	1.0928	6.4773	1.7780	6.0756	5.6504		1.7820
H11	3.4109	3.8355	2.4350	4.9850	1.0926	5.6947	1.7742	5.6504	4.7453	1.7820

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	106.644	S1	S3	C5	106.644
S2	S1	S3	114.072	S2	C4	H6	105.409
S2	C4	H8	112.296	S2	C4	H9	112.428
S3	C5	H7	105.409	S3	C5	H10	112.296
S3	C5	H11	112.428	H6	C4	H8	108.793
H6	C4	H9	108.471	H7	C5	H10	108.793
H7	C5	H11	108.471	H8	C4	H9	109.260
H10	C5	H11	109.260

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

using model chemistry: TPSSh/cc-pVTZ

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	-0.067
2	S	-0.063
3	S	-0.063
4	C	-0.202
5	C	-0.202
6	H	0.088
7	H	0.088
8	H	0.104
9	H	0.106
10	H	0.104
11	H	0.106

	x	y	z
x	12.146	2.753	0.000
y	2.753	16.141	0.000
z	0.000	0.000	10.226

<r²>	279.374
(<r²>)^1/2	16.714

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

using model chemistry: TPSSh/cc-pVTZ

States and conformations

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