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	hartrees
Energy at 0K	-1295.225209
Energy at 298.15K	-1295.231484
HF Energy	-1295.225209
Nuclear repulsion energy	433.006194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3752	3064	0.06
2	A	3752	3064	0.22
3	A	3740	3054	1.45
4	A	3740	3054	0.00
5	A	3559	2906	0.02
6	A	3559	2906	0.17
7	A	1820	1486	2.05
8	A	1819	1485	11.75
9	A	1809	1477	6.22
10	A	1809	1477	0.00
11	A	1698	1387	0.01
12	A	1693	1383	23.01
13	A	1446	1181	129.23
14	A	1181	965	15.77
15	A	1176	961	18.66
16	A	1172	957	0.36
17	A	1170	955	0.00
18	A	1075	877	145.13
19	A	962	786	0.31
20	A	947	774	1.53
21	A	612	500	0.16
22	A	523	427	2.31
23	A	424	346	0.05
24	A	344	281	1.96
25	A	271	221	3.52
26	A	201	164	0.07
27	A	156	128	0.15
28	A	156	127	0.00
29	A	95	77	0.00
30	A	83	68	1.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.054	-0.000
S2	-0.000	1.646	0.000
S3	-1.430	-0.998	-0.000
S4	1.430	-0.998	-0.000
C5	-2.758	0.211	0.000
C6	2.758	0.211	0.000
H7	-2.727	0.848	-0.879
H8	2.727	0.848	-0.880
H9	-3.698	-0.331	0.000
H10	-2.726	0.848	0.880
H11	2.726	0.848	0.880
H12	3.698	-0.331	0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.5925	1.7745	1.7745	2.7624	2.7624	2.9729	2.9729	3.7179	2.9728	2.9728	3.7179
S2	1.5925		3.0055	3.0055	3.1087	3.1087	2.9738	2.9741	4.1932	2.9739	2.9736	4.1932
S3	1.7745	3.0055		2.8592	1.7961	4.3585	2.4211	4.6317	2.3644	2.4211	4.6316	5.1708
S4	1.7745	3.0055	2.8592		4.3585	1.7961	4.6318	2.4211	5.1708	4.6315	2.4211	2.3644
C5	2.7624	3.1087	1.7961	4.3585		5.5157	1.0862	5.5909	1.0852	1.0862	5.5905	6.4785
C6	2.7624	3.1087	4.3585	1.7961	5.5157		5.5908	1.0862	6.4785	5.5906	1.0862	1.0852
H7	2.9729	2.9738	2.4211	4.6318	1.0862	5.5908		5.4531	1.7627	1.7593	5.7294	6.5907
H8	2.9729	2.9741	4.6317	2.4211	5.5909	1.0862	5.4531		6.5907	5.7297	1.7593	1.7627
H9	3.7179	4.1932	2.3644	5.1708	1.0852	6.4785	1.7627	6.5907		1.7627	6.5904	7.3960
H10	2.9728	2.9739	2.4211	4.6315	1.0862	5.5906	1.7593	5.7297	1.7627		5.4524	6.5904
H11	2.9728	2.9736	4.6316	2.4211	5.5905	1.0862	5.7294	1.7593	6.5904	5.4524		1.7627
H12	3.7179	4.1932	5.1708	2.3644	6.4785	1.0852	6.5907	1.7627	7.3960	6.5904	1.7627

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	101.361	C1	S4	C6	101.361
S2	C1	S3	126.328	S2	C1	S4	126.328
S3	C1	S4	107.344	S3	C5	H7	111.902
S3	C5	H9	107.721	S3	C5	H10	111.904
S4	C6	H8	111.902	S4	C6	H11	111.904
S4	C6	H12	107.720	H7	C5	H9	108.531
H7	C5	H10	108.152	H8	C6	H11	108.152
H8	C6	H12	108.531	H9	C5	H10	108.531
H11	C6	H12	108.531

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

using model chemistry: HF/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	C	-0.286
2	S	0.004
3	S	0.188
4	S	0.188
5	C	-0.271
6	C	-0.271
7	H	0.075
8	H	0.075
9	H	0.074
10	H	0.075
11	H	0.075
12	H	0.074

	x	y	z
x	8.497	0.000	0.000
y	0.000	7.036	0.001
z	0.000	0.001	2.357

<r²>	327.871
(<r²>)^1/2	18.107

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

using model chemistry: HF/STO-3G

States and conformations

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