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	hartrees
Energy at 0K	-1270.922956
Energy at 298.15K	-1270.928976
HF Energy	-1270.922956
Nuclear repulsion energy	365.223077

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3086	3051	0.56
2	A	3071	3036	0.32
3	A	2975	2941	2.78
4	A	1399	1383	15.17
5	A	1379	1363	11.91
6	A	1283	1268	0.95
7	A	936	926	1.13
8	A	932	921	5.19
9	A	710	702	1.15
10	A	483	477	0.03
11	A	265	262	0.16
12	A	179	177	1.25
13	A	153	151	2.43
14	A	49	48	1.65
15	B	3086	3051	2.20
16	B	3071	3035	0.60
17	B	2975	2941	20.59
18	B	1398	1381	17.52
19	B	1379	1363	15.79
20	B	1286	1271	3.97
21	B	937	926	1.59
22	B	927	916	16.16
23	B	708	700	4.02
24	B	447	442	30.99
25	B	270	267	1.23
26	B	178	176	1.16
27	B	91	89	5.38

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.104
S2	0.000	1.659	-0.137
S3	0.000	-1.659	-0.137
C4	1.715	1.680	-0.695
C5	-1.715	-1.680	-0.695
H6	1.813	2.513	-1.406
H7	-1.813	-2.513	-1.406
H8	2.402	1.831	0.147
H9	1.947	0.739	-1.214
H10	-2.402	-1.831	0.147
H11	-1.947	-0.739	-1.214

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0718	2.0718	2.9998	2.9998	3.9880	3.9880	3.1683	3.1164	3.1683	3.1164
S2	2.0718		3.3179	1.8033	3.7944	2.3724	4.7224	2.4247	2.4079	4.2460	3.2711
S3	2.0718	3.3179		3.7944	1.8033	4.7224	2.3724	4.2460	3.2711	2.4247	2.4079
C4	2.9998	1.8033	3.7944		4.8004	1.0997	5.5251	1.0974	1.0994	5.4752	4.4187
C5	2.9998	3.7944	1.8033	4.8004		5.5251	1.0997	5.4752	4.4187	1.0974	1.0994
H6	3.9880	2.3724	4.7224	1.0997	5.5251		6.1971	1.7954	1.7892	6.2487	4.9747
H7	3.9880	4.7224	2.3724	5.5251	1.0997	6.1971		6.2487	4.9747	1.7954	1.7892
H8	3.1683	2.4247	4.2460	1.0974	5.4752	1.7954	6.2487		1.8034	6.0403	5.2314
H9	3.1164	2.4079	3.2711	1.0994	4.4187	1.7892	4.9747	1.8034		5.2314	4.1648
H10	3.1683	4.2460	2.4247	5.4752	1.0974	6.2487	1.7954	6.0403	5.2314		1.8034
H11	3.1164	3.2711	2.4079	4.4187	1.0994	4.9747	1.7892	5.2314	4.1648	1.8034

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.225	S1	S3	C5	101.225
S2	S1	S3	106.396	S2	C4	H6	107.115
S2	C4	H8	111.067	S2	C4	H9	109.714
S3	C5	H7	107.115	S3	C5	H10	111.067
S3	C5	H11	109.714	H6	C4	H8	109.605
H6	C4	H9	108.905	H7	C5	H10	109.605
H7	C5	H11	108.905	H8	C4	H9	110.356
H10	C5	H11	110.356

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

using model chemistry: SVWN/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	-0.055
2	S	-0.012
3	S	-0.012
4	C	-0.564
5	C	-0.564
6	H	0.188
7	H	0.188
8	H	0.209
9	H	0.208
10	H	0.209
11	H	0.208

	x	y	z
x	11.538	2.546	0.000
y	2.546	15.527	0.000
z	0.000	0.000	10.210

<r²>	268.534
(<r²>)^1/2	16.387

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

using model chemistry: SVWN/TZVP

States and conformations

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