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	hartrees
Energy at 0K	-1308.568923
Energy at 298.15K	-1308.574766
Nuclear repulsion energy	424.041472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3151	3087	0.14
2	A	3150	3086	1.35
3	A	3141	3077	0.71
4	A	3140	3076	0.00
5	A	3022	2961	0.64
6	A	3022	2961	5.23
7	A	1441	1411	3.51
8	A	1436	1407	52.92
9	A	1425	1396	51.26
10	A	1425	1396	0.00
11	A	1351	1324	2.24
12	A	1344	1316	9.57
13	A	1063	1042	118.26
14	A	984	964	14.45
15	A	982	962	32.76
16	A	980	960	10.77
17	A	973	953	0.00
18	A	827	810	144.70
19	A	708	693	1.64
20	A	697	683	0.05
21	A	485	475	0.37
22	A	467	457	1.74
23	A	342	335	5.33
24	A	301	295	1.21
25	A	243	239	9.50
26	A	184	180	1.59
27	A	125	123	0.14
28	A	125	122	0.00
29	A	92	90	6.93
30	A	72	70	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.005	0.000
S2	0.000	1.682	0.000
S3	-1.467	-1.036	0.000
S4	1.467	-1.036	-0.000
C5	-2.783	0.265	0.000
C6	2.783	0.265	-0.000
H7	-2.682	0.894	-0.897
H8	2.682	0.894	-0.897
H9	-3.741	-0.275	0.000
H10	-2.682	0.894	0.897
H11	2.682	0.894	0.897
H12	3.741	-0.275	-0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6773	1.7987	1.7987	2.7947	2.7947	2.9641	2.9641	3.7514	2.9641	2.9641	3.7514
S2	1.6773		3.0885	3.0885	3.1228	3.1228	2.9356	2.9355	4.2218	2.9356	2.9356	4.2218
S3	1.7987	3.0885		2.9343	1.8498	4.4443	2.4499	4.6626	2.3978	2.4499	4.6626	5.2634
S4	1.7987	3.0885	2.9343		4.4443	1.8498	4.6626	2.4499	5.2634	4.6626	2.4499	2.3978
C5	2.7947	3.1228	1.8498	4.4443		5.5652	1.1000	5.5730	1.0998	1.1000	5.5730	6.5459
C6	2.7947	3.1228	4.4443	1.8498	5.5652		5.5730	1.1000	6.5459	5.5730	1.1000	1.0998
H7	2.9641	2.9356	2.4499	4.6626	1.1000	5.5730		5.3634	1.8142	1.7937	5.6554	6.5894
H8	2.9641	2.9355	4.6626	2.4499	5.5730	1.1000	5.3634		6.5894	5.6554	1.7937	1.8142
H9	3.7514	4.2218	2.3978	5.2634	1.0998	6.5459	1.8142	6.5894		1.8142	6.5894	7.4820
H10	2.9641	2.9356	2.4499	4.6626	1.1000	5.5730	1.7937	5.6554	1.8142		5.3634	6.5894
H11	2.9641	2.9356	4.6626	2.4499	5.5730	1.1000	5.6554	1.7937	6.5894	5.3634		1.8142
H12	3.7514	4.2218	5.2634	2.3978	6.5459	1.0998	6.5894	1.8142	7.4820	6.5894	1.8142

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	99.982	C1	S4	C6	99.982
S2	C1	S3	125.346	S2	C1	S4	125.346
S3	C1	S4	109.308	S3	C5	H7	109.676
S3	C5	H9	105.956	S3	C5	H10	109.677
S4	C6	H8	109.676	S4	C6	H11	109.677
S4	C6	H12	105.955	H7	C5	H9	111.122
H7	C5	H10	109.235	H8	C6	H11	109.235
H8	C6	H12	111.122	H9	C5	H10	111.122
H11	C6	H12	111.122

All results from a given calculation for C₃H₆S₃ (Carbonotrithioic acid, dimethyl ester)

using model chemistry: LSDA/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	C	-0.741
2	S	0.019
3	S	0.404
4	S	0.404
5	C	-0.741
6	C	-0.741
7	H	0.239
8	H	0.239
9	H	0.220
10	H	0.239
11	H	0.239
12	H	0.220

	x	y	z
x	17.915	0.000	-0.001
y	0.000	14.357	0.000
z	-0.001	0.000	6.715

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H6S3 (Carbonotrithioic acid, dimethyl ester)

using model chemistry: LSDA/6-31G

States and conformations

All results from a given calculation for C₃H₆S₃ (Carbonotrithioic acid, dimethyl ester)