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	hartrees
Energy at 0K	-1311.949935
Energy at 298.15K	-1311.956061
Nuclear repulsion energy	431.643901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3204	3047	1.68
2	A	3203	3046	0.00
3	A	3197	3041	1.79
4	A	3196	3040	2.13
5	A	3095	2943	6.02
6	A	3094	2943	7.92
7	A	1492	1419	2.79
8	A	1488	1416	37.32
9	A	1478	1405	26.23
10	A	1477	1405	1.32
11	A	1391	1323	0.00
12	A	1383	1315	0.09
13	A	1120	1065	165.05
14	A	1006	957	15.84
15	A	1006	956	30.02
16	A	1003	954	8.34
17	A	990	942	0.00
18	A	867	825	144.56
19	A	757	720	2.01
20	A	745	708	1.08
21	A	523	497	0.46
22	A	491	467	0.94
23	A	355	337	4.04
24	A	310	295	1.77
25	A	247	235	6.94
26	A	186	177	1.81
27	A	174	166	0.01
28	A	171	163	0.00
29	A	94	89	6.13
30	A	62	59	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	0.034	0.003
S2	0.002	1.706	0.002
S3	-1.409	-0.999	0.003
S4	1.447	-0.995	-0.002
C5	-2.845	0.174	-0.004
C6	2.790	0.175	-0.006
H7	-2.469	1.157	-0.029
H8	2.392	1.188	-0.036
H9	-3.425	-0.053	-0.878
H10	-3.407	-0.040	0.886
H11	3.355	0.055	0.901
H12	3.388	0.015	-0.844

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6719	1.7270	1.7959	2.8241	2.8175	2.6902	2.6783	3.5140	3.4961	3.4968	3.5160
S2	1.6719		3.0501	3.0634	3.2326	3.1804	2.5311	2.4462	3.9508	3.9302	3.8442	3.8781
S3	1.7270	3.0501		2.8557	1.8544	4.3592	2.4025	4.3851	2.3950	2.3854	4.9610	4.9750
S4	1.7959	3.0634	2.8557		4.4486	1.7810	4.4686	2.3793	5.0392	5.0257	2.3578	2.3446
C5	2.8241	3.2326	1.8544	4.4486		5.6346	1.0525	5.3346	1.0727	1.0738	6.2671	6.2912
C6	2.8175	3.1804	4.3592	1.7810	5.6346		5.3494	1.0884	6.2796	6.2637	1.0756	1.0421
H7	2.6902	2.5311	2.4025	4.4686	1.0525	5.3494		4.8613	1.7598	1.7747	5.9999	6.0224
H8	2.6783	2.4462	4.3851	2.3793	5.3346	1.0884	4.8613		6.0075	5.9987	1.7569	1.7381
H9	3.5140	3.9508	2.3950	5.0392	1.0727	6.2796	1.7598	6.0075		1.7633	7.0105	6.8133
H10	3.4961	3.9302	2.3854	5.0257	1.0738	6.2637	1.7747	5.9987	1.7633		6.7625	7.0114
H11	3.4968	3.8442	4.9610	2.3578	6.2671	1.0756	5.9999	1.7569	7.0105	6.7625		1.7459
H12	3.5160	3.8781	4.9750	2.3446	6.2912	1.0421	6.0224	1.7381	6.8133	7.0114	1.7459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	104.041	C1	S4	C6	103.942
S2	C1	S3	127.625	S2	C1	S4	124.077
S3	C1	S4	108.298	S3	C5	H7	108.289
S3	C5	H9	106.749	S3	C5	H10	106.001
S4	C6	H8	109.663	S4	C6	H11	108.729
S4	C6	H12	109.498	H7	C5	H9	111.795
H7	C5	H10	113.146	H8	C6	H11	108.562
H8	C6	H12	109.317	H9	C5	H10	110.462
H11	C6	H12	111.051

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

using model chemistry: HSEh1PBE/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	-0.402
2	S	-0.133
3	S	0.263
4	S	0.263
5	C	-0.686
6	C	-0.686
7	H	0.237
8	H	0.237
9	H	0.217
10	H	0.237
11	H	0.237
12	H	0.217

	x	y	z	Total
	0.000	-0.277	0.000	0.277
CHELPG
AIM
ESP

	x	y	z
x	17.098	-0.000	0.001
y	-0.000	14.101	0.000
z	0.001	0.000	7.117

<r²>	331.648
(<r²>)^1/2	18.211

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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