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	hartrees
Energy at 0K	-1274.496877
Energy at 298.15K	-1274.502880
Nuclear repulsion energy	357.473753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3148	3042	10.77
2	A	3132	3026	0.30
3	A	3048	2946	3.82
4	A	1493	1443	11.04
5	A	1479	1430	9.91
6	A	1373	1327	0.31
7	A	993	959	1.85
8	A	991	957	7.71
9	A	684	661	0.19
10	A	450	435	0.24
11	A	254	245	0.21
12	A	183	176	1.74
13	A	147	142	1.29
14	A	63	61	2.66
15	B	3147	3041	5.12
16	B	3132	3026	9.75
17	B	3048	2946	38.92
18	B	1492	1442	16.58
19	B	1479	1429	12.26
20	B	1375	1329	6.98
21	B	993	959	1.59
22	B	985	952	20.35
23	B	683	660	1.87
24	B	423	409	25.23
25	B	267	258	1.11
26	B	172	166	0.75
27	B	95	92	3.38

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.062
S2	0.000	1.705	-0.170
S3	0.000	-1.705	-0.170
C4	1.769	1.869	-0.609
C5	-1.769	-1.869	-0.609
H6	1.854	2.781	-1.203
H7	-1.854	-2.781	-1.203
H8	2.382	1.961	0.286
H9	2.096	1.020	-1.208
H10	-2.382	-1.961	0.286
H11	-2.096	-1.020	-1.208

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.1035	2.1035	3.0679	3.0679	4.0371	4.0371	3.1807	3.2533	3.1807	3.2533
S2	2.1035		3.4108	1.8299	4.0121	2.3793	4.9631	2.4383	2.4374	4.3954	3.5913
S3	2.1035	3.4108		4.0121	1.8299	4.9631	2.3793	4.3954	3.5913	2.4383	2.4374
C4	3.0679	1.8299	4.0121		5.1463	1.0918	5.9244	1.0889	1.0894	5.7177	4.8619
C5	3.0679	4.0121	1.8299	5.1463		5.9244	1.0918	5.7177	4.8619	1.0889	1.0894
H6	4.0371	2.3793	4.9631	1.0918	5.9244		6.6848	1.7801	1.7779	6.5300	5.4815
H7	4.0371	4.9631	2.3793	5.9244	1.0918	6.6848		6.5300	5.4815	1.7801	1.7779
H8	3.1807	2.4383	4.3954	1.0889	5.7177	1.7801	6.5300		1.7890	6.1695	5.5824
H9	3.2533	2.4374	3.5913	1.0894	4.8619	1.7779	5.4815	1.7890		5.5824	4.6614
H10	3.1807	4.3954	2.4383	5.7177	1.0889	6.5300	1.7801	6.1695	5.5824		1.7890
H11	3.2533	3.5913	2.4374	4.8619	1.0894	5.4815	1.7779	5.5824	4.6614	1.7890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	102.293	S1	S3	C5	102.293
S2	S1	S3	108.341	S2	C4	H6	106.289
S2	C4	H8	110.737	S2	C4	H9	110.645
S3	C5	H7	106.289	S3	C5	H10	110.737
S3	C5	H11	110.645	H6	C4	H8	109.438
H6	C4	H9	109.196	H7	C5	H10	109.438
H7	C5	H11	109.196	H8	C4	H9	110.434
H10	C5	H11	110.434

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

using model chemistry: B3LYP/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	S	-0.056
2	S	0.050
3	S	0.050
4	C	-0.776
5	C	-0.776
6	H	0.243
7	H	0.243
8	H	0.254
9	H	0.257
10	H	0.254
11	H	0.257

	x	y	z
x	11.187	2.307	0.000
y	2.307	15.612	0.000
z	0.000	0.000	9.709

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-311G*

States and conformations

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