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	hartrees
Energy at 0K	-1274.329245
Energy at 298.15K	-1274.335331
HF Energy	-1274.329245
Nuclear repulsion energy	362.896869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3189	3038	5.56
2	A	3175	3025	0.04
3	A	3076	2930	4.19
4	A	1487	1417	10.15
5	A	1466	1396	11.97
6	A	1370	1306	0.03
7	A	996	949	0.67
8	A	984	937	3.01
9	A	720	685	0.19
10	A	497	474	0.20
11	A	272	259	0.31
12	A	181	172	2.86
13	A	127	121	0.20
14	A	56	53	2.56
15	B	3189	3038	3.34
16	B	3175	3024	4.67
17	B	3075	2930	33.38
18	B	1486	1415	15.70
19	B	1465	1396	12.14
20	B	1373	1307	2.73
21	B	991	944	11.62
22	B	983	937	3.94
23	B	718	684	1.41
24	B	491	468	16.81
25	B	281	268	1.27
26	B	142	136	1.26
27	B	94	90	3.44

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.997
S2	0.000	1.680	-0.115
S3	0.000	-1.680	-0.115
C4	1.702	1.920	-0.641
C5	-1.702	-1.920	-0.641
H6	1.751	2.949	-1.012
H7	-1.751	-2.949	-1.012
H8	2.415	1.811	0.183
H9	1.989	1.246	-1.454
H10	-2.415	-1.811	0.183
H11	-1.989	-1.246	-1.454

	S1	S2	S3	C4	C5	H6	H7	H8	H9	H10	H11
S1		2.0153	2.0153	3.0444	3.0444	3.9751	3.9751	3.1267	3.3941	3.1267	3.3941
S2	2.0153		3.3604	1.7975	4.0168	2.3410	5.0299	2.4368	2.4370	4.2557	3.7830
S3	2.0153	3.3604		4.0168	1.7975	5.0299	2.3410	4.2557	3.7830	2.4368	2.4370
C4	3.0444	1.7975	4.0168		5.1314	1.0950	5.9806	1.0950	1.0944	5.6169	4.9303
C5	3.0444	4.0168	1.7975	5.1314		5.9806	1.0950	5.6169	4.9303	1.0950	1.0944
H6	3.9751	2.3410	5.0299	1.0950	5.9806		6.8594	1.7785	1.7757	6.4376	5.6375
H7	3.9751	5.0299	2.3410	5.9806	1.0950	6.8594		6.4376	5.6375	1.7785	1.7757
H8	3.1267	2.4368	4.2557	1.0950	5.6169	1.7785	6.4376		1.7832	6.0373	5.6055
H9	3.3941	2.4370	3.7830	1.0944	4.9303	1.7757	5.6375	1.7832		5.6055	4.6945
H10	3.1267	4.2557	2.4368	5.6169	1.0950	6.4376	1.7785	6.0373	5.6055		1.7832
H11	3.3941	3.7830	2.4370	4.9303	1.0944	5.6375	1.7757	5.6055	4.6945	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
S1	S2	C4	105.830	S1	S3	C5	105.830
S2	S1	S3	112.969	S2	C4	H6	105.478
S2	C4	H8	112.521	S2	C4	H9	112.575
S3	C5	H7	105.478	S3	C5	H10	112.521
S3	C5	H11	112.575	H6	C4	H8	108.603
H6	C4	H9	108.402	H7	C5	H10	108.603
H7	C5	H11	108.402	H8	C4	H9	109.066
H10	C5	H11	109.066

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

using model chemistry: wB97X-D/cc-pVDZ

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	-0.041
2	S	0.016
3	S	0.016
4	C	-0.599
5	C	-0.599
6	H	0.194
7	H	0.194
8	H	0.204
9	H	0.206
10	H	0.204
11	H	0.206

	x	y	z
x	11.338	2.143	0.000
y	2.143	15.216	0.000
z	0.000	0.000	10.393

<r²>	275.280
(<r²>)^1/2	16.592

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

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

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