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	hartrees
Energy at 0K	-1260.240026
Energy at 298.15K	-1260.245968
Nuclear repulsion energy	358.774990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3463	3091	0.15
2	A	3447	3076	4.86
3	A	3281	2928	0.19
4	A	1684	1503	4.19
5	A	1670	1490	4.89
6	A	1534	1369	1.72
7	A	1062	948	1.08
8	A	1058	944	2.26
9	A	821	733	0.50
10	A	570	509	0.68
11	A	267	238	0.93
12	A	187	167	1.35
13	A	142	126	0.02
14	A	55	49	0.49
15	B	3463	3091	1.91
16	B	3447	3076	2.71
17	B	3281	2928	5.78
18	B	1683	1502	9.20
19	B	1669	1490	5.12
20	B	1532	1367	26.63
21	B	1061	947	9.92
22	B	1056	943	4.45
23	B	818	730	1.00
24	B	555	496	11.79
25	B	286	255	1.33
26	B	151	135	0.15
27	B	79	71	0.59

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.091
S2	0.000	1.666	-0.209
S3	0.000	-1.666	-0.209
C4	1.795	1.787	-0.568
C5	-1.795	-1.787	-0.568
H6	1.951	2.650	-1.233
H7	-1.951	-2.650	-1.233
H8	2.393	1.944	0.345
H9	2.174	0.887	-1.080
H10	-2.393	-1.944	0.345
H11	-2.174	-0.887	-1.080

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.1135	2.1135	3.0276	3.0276	4.0284	4.0284	3.1714	3.1977	3.1714	3.1977
S2	2.1135		3.3328	1.8347	3.9086	2.4127	4.8462	2.4716	2.4681	4.3664	3.4647
S3	2.1135	3.3328		3.9086	1.8347	4.8462	2.4127	4.3664	3.4647	2.4716	2.4681
C4	3.0276	1.8347	3.9086		5.0662	1.1010	5.8451	1.1021	1.1026	5.6825	4.8134
C5	3.0276	3.9086	1.8347	5.0662		5.8451	1.1010	5.6825	4.8134	1.1021	1.1026
H6	4.0284	2.4127	4.8462	1.1010	5.8451		6.5814	1.7849	1.7837	6.5161	5.4359
H7	4.0284	4.8462	2.4127	5.8451	1.1010	6.5814		6.5161	5.4359	1.7849	1.7837
H8	3.1714	2.4716	4.3664	1.1021	5.6825	1.7849	6.5161		1.7879	6.1652	5.5586
H9	3.1977	2.4681	3.4647	1.1026	4.8134	1.7837	5.4359	1.7879		5.5586	4.6960
H10	3.1714	4.3664	2.4716	5.6825	1.1021	6.5161	1.7849	6.1652	5.5586		1.7879
H11	3.1977	3.4647	2.4681	4.8134	1.1026	5.4359	1.7837	5.5586	4.6960	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	99.895	S1	S3	C5	99.895
S2	S1	S3	104.079	S2	C4	H6	107.915
S2	C4	H8	112.200	S2	C4	H9	111.905
S3	C5	H7	107.915	S3	C5	H10	112.200
S3	C5	H11	111.905	H6	C4	H8	108.224
H6	C4	H9	108.079	H7	C5	H10	108.224
H7	C5	H11	108.079	H8	C4	H9	108.376
H10	C5	H11	108.376

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

using model chemistry: B3LYP/STO-3G

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	-0.008
2	S	0.073
3	S	0.073
4	C	-0.307
5	C	-0.307
6	H	0.082
7	H	0.082
8	H	0.078
9	H	0.077
10	H	0.078
11	H	0.077

	x	y	z
x	5.159	1.936	0.000
y	1.936	8.063	0.000
z	0.000	0.000	4.057

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/STO-3G

States and conformations

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