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	hartrees
Energy at 0K	-1270.817510
Energy at 298.15K	-1270.823505
HF Energy	-1270.817510
Nuclear repulsion energy	364.682730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3108	3049	0.59
2	A	3093	3034	0.24
3	A	2995	2938	1.76
4	A	1434	1407	14.37
5	A	1416	1389	12.22
6	A	1312	1287	0.83
7	A	954	936	1.83
8	A	951	933	7.01
9	A	718	705	1.09
10	A	485	476	0.17
11	A	264	259	0.29
12	A	178	174	1.58
13	A	150	147	2.92
14	A	47	46	1.85
15	B	3108	3049	2.44
16	B	3092	3033	0.75
17	B	2995	2938	15.48
18	B	1433	1405	17.37
19	B	1415	1389	15.29
20	B	1315	1290	2.43
21	B	956	938	4.05
22	B	945	927	20.87
23	B	716	703	3.30
24	B	454	445	30.70
25	B	270	265	1.73
26	B	174	171	1.19
27	B	90	88	5.62

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	1.088
S2	0.000	1.666	-0.136
S3	0.000	-1.666	-0.136
C4	1.718	1.712	-0.683
C5	-1.718	-1.712	-0.683
H6	1.814	2.562	-1.379
H7	-1.814	-2.562	-1.379
H8	2.404	1.854	0.167
H9	1.966	0.782	-1.221
H10	-2.404	-1.854	0.167
H11	-1.966	-0.782	-1.221

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0674	2.0674	3.0034	3.0034	3.9931	3.9931	3.1725	3.1319	3.1725	3.1319
S2	2.0674		3.3316	1.8035	3.8290	2.3747	4.7657	2.4300	2.4130	4.2731	3.3214
S3	2.0674	3.3316		3.8290	1.8035	4.7657	2.3747	4.2731	3.3214	2.4300	2.4130
C4	3.0034	1.8035	3.8290		4.8510	1.1032	5.5883	1.1011	1.1029	5.5162	4.4810
C5	3.0034	3.8290	1.8035	4.8510		5.5883	1.1032	5.5162	4.4810	1.1011	1.1029
H6	3.9931	2.3747	4.7657	1.1032	5.5883		6.2784	1.8002	1.7940	6.2993	5.0489
H7	3.9931	4.7657	2.3747	5.5883	1.1032	6.2784		6.2993	5.0489	1.8002	1.7940
H8	3.1725	2.4300	4.2731	1.1011	5.5162	1.8002	6.2993		1.8077	6.0714	5.2883
H9	3.1319	2.4130	3.3214	1.1029	4.4810	1.7940	5.0489	1.8077		5.2883	4.2310
H10	3.1725	4.2731	2.4300	5.5162	1.1011	6.2993	1.8002	6.0714	5.2883		1.8077
H11	3.1319	3.3214	2.4130	4.4810	1.1029	5.0489	1.7940	5.2883	4.2310	1.8077

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	101.554	S1	S3	C5	101.554
S2	S1	S3	107.364	S2	C4	H6	107.088
S2	C4	H8	111.256	S2	C4	H9	109.888
S3	C5	H7	107.088	S3	C5	H10	111.256
S3	C5	H11	109.888	H6	C4	H8	109.506
H6	C4	H9	108.814	H7	C5	H10	109.506
H7	C5	H11	108.814	H8	C4	H9	110.207
H10	C5	H11	110.207

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

using model chemistry: SVWN/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	-0.068
2	S	0.041
3	S	0.041
4	C	-0.693
5	C	-0.693
6	H	0.223
7	H	0.223
8	H	0.229
9	H	0.232
10	H	0.229
11	H	0.232

	x	y	z
x	10.137	2.372	0.000
y	2.372	14.861	0.000
z	0.000	0.000	9.203

<r²>	270.370
(<r²>)^1/2	16.443

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

using model chemistry: SVWN/6-31G*

States and conformations

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