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	hartrees
Energy at 0K	-1310.514235
Energy at 298.15K	-1310.520583
HF Energy	-1309.701032
Nuclear repulsion energy	432.450213

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3211	3052	3.22
2	A	3210	3051	0.00
3	A	3202	3043	2.55
4	A	3202	3043	3.87
5	A	3096	2942	13.44
6	A	3096	2942	2.14
7	A	1511	1436	1.65
8	A	1508	1433	30.59
9	A	1492	1417	0.00
10	A	1491	1417	26.12
11	A	1421	1350	0.11
12	A	1413	1343	0.15
13	A	1149	1092	170.86
14	A	1027	976	13.77
15	A	1026	975	22.85
16	A	1022	971	9.42
17	A	1014	964	0.00
18	A	868	825	179.30
19	A	769	731	1.91
20	A	756	719	2.32
21	A	528	502	2.80
22	A	487	463	4.11
23	A	366	348	4.95
24	A	318	302	2.51
25	A	258	245	3.45
26	A	222	211	0.08
27	A	220	209	0.00
28	A	197	187	1.73
29	A	87	83	6.09
30	A	48	45	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.014	-0.000
S2	0.000	1.650	0.000
S3	1.428	-1.007	-0.000
S4	-1.428	-1.007	-0.000
C5	2.727	0.243	0.000
C6	-2.727	0.243	0.000
H7	2.660	0.865	0.891
H8	-2.660	0.865	0.891
H9	3.662	-0.318	0.000
H10	2.661	0.865	-0.891
H11	-2.661	0.865	-0.891
H12	-3.662	-0.318	0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6355	1.7559	1.7559	2.7361	2.7361	2.9317	2.9317	3.6771	2.9317	2.9317	3.6771
S2	1.6355		3.0164	3.0164	3.0684	3.0684	2.9134	2.9134	4.1573	2.9137	2.9137	4.1573
S3	1.7559	3.0164		2.8569	1.8017	4.3388	2.4112	4.5841	2.3375	2.4112	4.5844	5.1370
S4	1.7559	3.0164	2.8569		4.3388	1.8017	4.5842	2.4112	5.1370	4.5843	2.4112	2.3375
C5	2.7361	3.0684	1.8017	4.3388		5.4532	1.0886	5.4954	1.0905	1.0886	5.4958	6.4132
C6	2.7361	3.0684	4.3388	1.8017	5.4532		5.4954	1.0886	6.4132	5.4957	1.0886	1.0905
H7	2.9317	2.9134	2.4112	4.5842	1.0886	5.4954		5.3206	1.7875	1.7818	5.6114	6.4934
H8	2.9317	2.9134	4.5841	2.4112	5.4954	1.0886	5.3206		6.4934	5.6114	1.7818	1.7875
H9	3.6771	4.1573	2.3375	5.1370	1.0905	6.4132	1.7875	6.4934		1.7875	6.4938	7.3242
H10	2.9317	2.9137	2.4112	4.5843	1.0886	5.4957	1.7818	5.6114	1.7875		5.3213	6.4938
H11	2.9317	2.9137	4.5844	2.4112	5.4958	1.0886	5.6114	1.7818	6.4938	5.3213		1.7875
H12	3.6771	4.1573	5.1370	2.3375	6.4132	1.0905	6.4934	1.7875	7.3242	6.4938	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	100.537	C1	S4	C6	100.537
S2	C1	S3	125.561	S2	C1	S4	125.561
S3	C1	S4	108.879	S3	C5	H7	110.640
S3	C5	H9	105.176	S3	C5	H10	110.640
S4	C6	H8	110.640	S4	C6	H11	110.640
S4	C6	H12	105.176	H7	C5	H9	110.227
H7	C5	H10	109.848	H8	C6	H11	109.848
H8	C6	H12	110.227	H9	C5	H10	110.227
H11	C6	H12	110.228

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

using model chemistry: MP2/6-311G*

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

using model chemistry: MP2/6-311G*

States and conformations

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