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	hartrees
Energy at 0K	-1260.301734
Energy at 298.15K	-1260.308155
Nuclear repulsion energy	361.507640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3517	3335	0.00
2	A	3501	3320	3.03
3	A	3330	3158	0.10
4	A	1696	1608	4.74
5	A	1681	1594	5.82
6	A	1548	1468	1.34
7	A	1078	1022	1.24
8	A	1074	1018	2.41
9	A	850	807	0.47
10	A	590	560	0.78
11	A	273	259	1.06
12	A	193	183	1.58
13	A	144	137	0.02
14	A	58	55	0.63
15	B	3517	3335	1.91
16	B	3501	3320	1.43
17	B	3330	3158	3.66
18	B	1695	1608	10.31
19	B	1681	1594	5.82
20	B	1546	1467	21.75
21	B	1077	1022	10.69
22	B	1072	1017	4.95
23	B	848	804	0.76
24	B	583	552	11.07
25	B	292	277	1.48
26	B	154	146	0.16
27	B	82	78	0.74

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.080
S2	0.000	1.653	-0.209
S3	0.000	-1.653	-0.209
C4	1.781	1.779	-0.560
C5	-1.781	-1.779	-0.560
H6	1.934	2.643	-1.220
H7	-1.934	-2.643	-1.220
H8	2.375	1.936	0.352
H9	2.164	0.886	-1.074
H10	-2.375	-1.936	0.352
H11	-2.164	-0.886	-1.074

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0955	2.0955	3.0044	3.0044	4.0018	4.0018	3.1490	3.1792	3.1490	3.1792
S2	2.0955		3.3054	1.8196	3.8825	2.3965	4.8183	2.4562	2.4534	4.3392	3.4465
S3	2.0955	3.3054		3.8825	1.8196	4.8183	2.3965	4.3392	3.4465	2.4562	2.4534
C4	3.0044	1.8196	3.8825		5.0350	1.0978	5.8131	1.0989	1.0995	5.6481	4.7888
C5	3.0044	3.8825	1.8196	5.0350		5.8131	1.0978	5.6481	4.7888	1.0989	1.0995
H6	4.0018	2.3965	4.8183	1.0978	5.8131		6.5499	1.7791	1.7779	6.4805	5.4101
H7	4.0018	4.8183	2.3965	5.8131	1.0978	6.5499		6.4805	5.4101	1.7791	1.7779
H8	3.1490	2.4562	4.3392	1.0989	5.6481	1.7791	6.4805		1.7826	6.1272	5.5313
H9	3.1792	2.4534	3.4465	1.0995	4.7888	1.7779	5.4101	1.7826		5.5313	4.6769
H10	3.1490	4.3392	2.4562	5.6481	1.0989	6.4805	1.7791	6.1272	5.5313		1.7826
H11	3.1792	3.4465	2.4534	4.7888	1.0995	5.4101	1.7779	5.5313	4.6769	1.7826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	99.996	S1	S3	C5	99.996
S2	S1	S3	104.123	S2	C4	H6	107.883
S2	C4	H8	112.252	S2	C4	H9	112.009
S3	C5	H7	107.883	S3	C5	H10	112.252
S3	C5	H11	112.009	H6	C4	H8	108.166
H6	C4	H9	108.021	H7	C5	H10	108.166
H7	C5	H11	108.021	H8	C4	H9	108.359
H10	C5	H11	108.359

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

using model chemistry: mPW1PW91/6-31G*

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	-0.010
2	S	0.069
3	S	0.069
4	C	-0.319
5	C	-0.319
6	H	0.088
7	H	0.088
8	H	0.084
9	H	0.083
10	H	0.084
11	H	0.083

	x	y	z
x	4.963	1.837	0.000
y	1.837	7.779	0.000
z	0.000	0.000	3.942

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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