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	hartrees
Energy at 0K	-1274.337752
Energy at 298.15K	-1274.343697
Nuclear repulsion energy	348.641775

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3241	3241	11.41
2	A	3220	3220	0.00
3	A	3099	3099	5.59
4	A	1509	1509	17.73
5	A	1493	1493	12.92
6	A	1400	1400	0.17
7	A	1024	1024	1.65
8	A	1014	1014	7.85
9	A	680	680	0.02
10	A	424	424	0.23
11	A	245	245	0.00
12	A	176	176	0.59
13	A	142	142	2.78
14	A	71	71	2.90
15	B	3241	3241	9.94
16	B	3219	3219	7.57
17	B	3099	3099	33.32
18	B	1508	1508	12.77
19	B	1493	1493	23.95
20	B	1403	1403	4.55
21	B	1022	1022	5.62
22	B	1013	1013	16.08
23	B	678	678	2.91
24	B	406	406	13.49
25	B	239	239	1.35
26	B	187	187	1.36
27	B	99	99	4.96

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.241
S2	0.000	1.748	-0.167
S3	0.000	-1.748	-0.167
C4	1.761	1.643	-0.763
C5	-1.761	-1.643	-0.763
H6	1.879	2.421	-1.520
H7	-1.879	-2.421	-1.520
H8	2.448	1.815	0.062
H9	1.931	0.664	-1.209
H10	-2.448	-1.815	0.062
H11	-1.931	-0.664	-1.209

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.2448	2.2448	3.1335	3.1335	4.1246	4.1246	3.2672	3.1897	3.2672	3.1897
S2	2.2448		3.4962	1.8622	3.8676	2.4108	4.7684	2.4594	2.4479	4.3291	3.2607
S3	2.2448	3.4962		3.8676	1.8622	4.7684	2.4108	4.3291	3.2607	2.4594	2.4479
C4	3.1335	1.8622	3.8676		4.8174	1.0912	5.5079	1.0877	1.0898	5.5097	4.3767
C5	3.1335	3.8676	1.8622	4.8174		5.5079	1.0912	5.5097	4.3767	1.0877	1.0898
H6	4.1246	2.4108	4.7684	1.0912	5.5079		6.1284	1.7874	1.7851	6.2582	4.9119
H7	4.1246	4.7684	2.4108	5.5079	1.0912	6.1284		6.2582	4.9119	1.7874	1.7851
H8	3.2672	2.4594	4.3291	1.0877	5.5097	1.7874	6.2582		1.7916	6.0946	5.1902
H9	3.1897	2.4479	3.2607	1.0898	4.3767	1.7851	4.9119	1.7916		5.1902	4.0845
H10	3.2672	4.3291	2.4594	5.5097	1.0877	6.2582	1.7874	6.0946	5.1902		1.7916
H11	3.1897	3.2607	2.4479	4.3767	1.0898	4.9119	1.7851	5.1902	4.0845	1.7916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	99.029	S1	S3	C5	99.029
S2	S1	S3	102.290	S2	C4	H6	106.487
S2	C4	H8	110.186	S2	C4	H9	109.231
S3	C5	H7	106.487	S3	C5	H10	110.186
S3	C5	H11	109.231	H6	C4	H8	110.238
H6	C4	H9	109.870	H7	C5	H10	110.238
H7	C5	H11	109.870	H8	C4	H9	110.734
H10	C5	H11	110.734

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

using model chemistry: B1B95/SDD

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	-0.065
2	S	0.042
3	S	0.042
4	C	-0.819
5	C	-0.819
6	H	0.261
7	H	0.261
8	H	0.273
9	H	0.275
10	H	0.273
11	H	0.275

	x	y	z
x	9.784	2.275	0.000
y	2.275	14.566	0.000
z	0.000	0.000	9.134

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/SDD

States and conformations

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