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	hartrees
Energy at 0K	-1274.508744
Energy at 298.15K	-1274.514752
HF Energy	-1274.508744
Nuclear repulsion energy	357.513938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3150	3041	7.99
2	A	3134	3026	0.32
3	A	3049	2943	3.73
4	A	1481	1430	8.99
5	A	1463	1412	10.29
6	A	1352	1305	0.31
7	A	978	944	0.16
8	A	973	940	4.63
9	A	680	656	0.24
10	A	462	446	0.11
11	A	255	246	0.21
12	A	179	172	1.90
13	A	146	141	0.68
14	A	61	59	2.42
15	B	3150	3041	3.89
16	B	3134	3025	7.08
17	B	3049	2943	34.27
18	B	1480	1429	15.59
19	B	1462	1412	9.20
20	B	1354	1307	7.85
21	B	975	942	2.04
22	B	970	936	11.23
23	B	678	655	1.33
24	B	437	422	24.88
25	B	268	258	0.85
26	B	166	160	0.70
27	B	96	92	3.46

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.070
S2	0.000	1.700	-0.164
S3	0.000	-1.700	-0.164
C4	1.770	1.861	-0.625
C5	-1.770	-1.861	-0.625
H6	1.841	2.757	-1.244
H7	-1.841	-2.757	-1.244
H8	2.388	1.979	0.262
H9	2.089	0.997	-1.204
H10	-2.388	-1.979	0.262
H11	-2.089	-0.997	-1.204

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.1013	2.1013	3.0776	3.0776	4.0430	4.0430	3.2050	3.2448	3.2050	3.2448
S2	2.1013		3.4007	1.8360	4.0038	2.3816	4.9419	2.4419	2.4371	4.4068	3.5663
S3	2.1013	3.4007		4.0038	1.8360	4.9419	2.3816	4.4068	3.5663	2.4419	2.4371
C4	3.0776	1.8360	4.0038		5.1369	1.0907	5.8950	1.0878	1.0882	5.7290	4.8367
C5	3.0776	4.0038	1.8360	5.1369		5.8950	1.0907	5.7290	4.8367	1.0878	1.0882
H6	4.0430	2.3816	4.9419	1.0907	5.8950		6.6305	1.7811	1.7779	6.5254	5.4349
H7	4.0430	4.9419	2.3816	5.8950	1.0907	6.6305		6.5254	5.4349	1.7811	1.7779
H8	3.2050	2.4419	4.4068	1.0878	5.7290	1.7811	6.5254		1.7895	6.2027	5.5719
H9	3.2448	2.4371	3.5663	1.0882	4.8367	1.7779	5.4349	1.7895		5.5719	4.6291
H10	3.2050	4.4068	2.4419	5.7290	1.0878	6.5254	1.7811	6.2027	5.5719		1.7895
H11	3.2448	3.5663	2.4371	4.8367	1.0882	5.4349	1.7779	5.5719	4.6291	1.7895

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.618	S1	S3	C5	102.618
S2	S1	S3	108.037	S2	C4	H6	106.111
S2	C4	H8	110.648	S2	C4	H9	110.272
S3	C5	H7	106.111	S3	C5	H10	110.648
S3	C5	H11	110.272	H6	C4	H8	109.684
H6	C4	H9	109.366	H7	C5	H10	109.684
H7	C5	H11	109.366	H8	C4	H9	110.651
H10	C5	H11	110.651

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

using model chemistry: B3LYP/TZVP

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	-0.064
2	S	-0.035
3	S	-0.035
4	C	-0.377
5	C	-0.377
6	H	0.136
7	H	0.136
8	H	0.153
9	H	0.155
10	H	0.153
11	H	0.155

	x	y	z
x	11.407	2.667	0.000
y	2.667	15.647	0.000
z	0.000	0.000	9.719

<r²>	285.858
(<r²>)^1/2	16.907

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

using model chemistry: B3LYP/TZVP

States and conformations

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