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	hartrees
Energy at 0K	-1274.405112
Energy at 298.15K	-1274.411254
Nuclear repulsion energy	362.034213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3193	3039	4.71
2	A	3181	3027	0.02
3	A	3080	2931	2.94
4	A	1484	1413	10.63
5	A	1467	1396	12.07
6	A	1366	1301	0.01
7	A	992	945	0.36
8	A	988	940	4.06
9	A	720	685	0.39
10	A	491	467	0.21
11	A	264	251	0.39
12	A	185	176	2.27
13	A	150	143	0.84
14	A	63	60	2.54
15	B	3193	3039	2.23
16	B	3180	3027	3.74
17	B	3080	2931	30.97
18	B	1483	1411	16.47
19	B	1466	1396	12.88
20	B	1369	1303	2.92
21	B	990	942	3.70
22	B	983	936	11.47
23	B	719	684	1.54
24	B	477	454	23.00
25	B	275	262	1.32
26	B	170	161	0.74
27	B	97	92	3.77

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.051
S2	0.000	1.676	-0.160
S3	0.000	-1.676	-0.160
C4	1.749	1.838	-0.615
C5	-1.749	-1.838	-0.615
H6	1.825	2.737	-1.231
H7	-1.825	-2.737	-1.231
H8	2.374	1.953	0.271
H9	2.074	0.977	-1.200
H10	-2.374	-1.953	0.271
H11	-2.074	-0.977	-1.200

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0680	2.0680	3.0356	3.0356	4.0040	4.0040	3.1711	3.2134	3.1711	3.2134
S2	2.0680		3.3530	1.8150	3.9521	2.3674	4.8947	2.4283	2.4240	4.3579	3.5249
S3	2.0680	3.3530		3.9521	1.8150	4.8947	2.3674	4.3579	3.5249	2.4283	2.4240
C4	3.0356	1.8150	3.9521		5.0749	1.0926	5.8385	1.0903	1.0908	5.6705	4.7839
C5	3.0356	3.9521	1.8150	5.0749		5.8385	1.0926	5.6705	4.7839	1.0903	1.0908
H6	4.0040	2.3674	4.8947	1.0926	5.8385		6.5795	1.7815	1.7781	6.4716	5.3850
H7	4.0040	4.8947	2.3674	5.8385	1.0926	6.5795		6.4716	5.3850	1.7815	1.7781
H8	3.1711	2.4283	4.3579	1.0903	5.6705	1.7815	6.4716		1.7911	6.1473	5.5256
H9	3.2134	2.4240	3.5249	1.0908	4.7839	1.7781	5.3850	1.7911		5.5256	4.5855
H10	3.1711	4.3579	2.4283	5.6705	1.0903	6.4716	1.7815	6.1473	5.5256		1.7911
H11	3.2134	3.5249	2.4240	4.7839	1.0908	5.3850	1.7781	5.5256	4.5855	1.7911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.652	S1	S3	C5	102.652
S2	S1	S3	108.322	S2	C4	H6	106.352
S2	C4	H8	110.931	S2	C4	H9	110.577
S3	C5	H7	106.352	S3	C5	H10	110.931
S3	C5	H11	110.577	H6	C4	H8	109.404
H6	C4	H9	109.058	H7	C5	H10	109.404
H7	C5	H11	109.058	H8	C4	H9	110.415
H10	C5	H11	110.415

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

using model chemistry: mPW1PW91/6-31+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	-0.034
2	S	0.030
3	S	0.030
4	C	-0.645
5	C	-0.645
6	H	0.203
7	H	0.203
8	H	0.214
9	H	0.215
10	H	0.214
11	H	0.215

	x	y	z
x	11.444	2.360	0.000
y	2.360	15.741	0.000
z	0.000	0.000	10.249

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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