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	hartrees
Energy at 0K	-1310.381394
Energy at 298.15K	-1310.387699
HF Energy	-1309.613173
Nuclear repulsion energy	432.015888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3241	3056	1.95
2	A	3240	3055	0.00
3	A	3231	3047	1.54
4	A	3231	3047	2.99
5	A	3125	2947	9.52
6	A	3125	2947	1.39
7	A	1531	1444	1.35
8	A	1529	1442	32.70
9	A	1513	1427	23.50
10	A	1513	1426	0.00
11	A	1437	1355	0.03
12	A	1430	1348	0.75
13	A	1158	1092	150.36
14	A	1039	980	7.40
15	A	1037	978	21.25
16	A	1034	975	10.32
17	A	1027	969	0.00
18	A	880	830	175.47
19	A	777	733	1.86
20	A	764	720	1.94
21	A	529	499	2.48
22	A	493	465	1.46
23	A	366	345	4.46
24	A	318	300	2.13
25	A	257	243	4.86
26	A	204	193	0.00
27	A	201	189	0.00
28	A	197	186	1.39
29	A	90	85	5.62
30	A	52	49	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.013	-0.000
S2	0.000	1.650	0.000
S3	1.431	-1.008	-0.000
S4	-1.431	-1.008	-0.000
C5	2.729	0.244	0.000
C6	-2.729	0.244	0.000
H7	2.659	0.868	0.892
H8	-2.659	0.868	0.892
H9	3.668	-0.312	0.000
H10	2.660	0.868	-0.891
H11	-2.660	0.868	-0.891
H12	-3.668	-0.312	0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6373	1.7581	1.7581	2.7384	2.7384	2.9321	2.9321	3.6825	2.9321	2.9321	3.6825
S2	1.6373		3.0192	3.0192	3.0697	3.0697	2.9118	2.9118	4.1600	2.9122	2.9122	4.1600
S3	1.7581	3.0192		2.8620	1.8034	4.3440	2.4130	4.5873	2.3430	2.4130	4.5876	5.1465
S4	1.7581	3.0192	2.8620		4.3440	1.8034	4.5874	2.4130	5.1465	4.5875	2.4130	2.3430
C5	2.7384	3.0697	1.8034	4.3440		5.4572	1.0901	5.4965	1.0917	1.0901	5.4969	6.4209
C6	2.7384	3.0697	4.3440	1.8034	5.4572		5.4966	1.0901	6.4209	5.4969	1.0901	1.0917
H7	2.9321	2.9118	2.4130	4.5874	1.0901	5.4966		5.3184	1.7899	1.7830	5.6097	6.4978
H8	2.9321	2.9118	4.5873	2.4130	5.4965	1.0901	5.3184		6.4978	5.6097	1.7830	1.7899
H9	3.6825	4.1600	2.3430	5.1465	1.0917	6.4209	1.7899	6.4978		1.7899	6.4982	7.3363
H10	2.9321	2.9122	2.4130	4.5875	1.0901	5.4969	1.7830	5.6097	1.7899		5.3191	6.4982
H11	2.9321	2.9122	4.5876	2.4130	5.4969	1.0901	5.6097	1.7830	6.4982	5.3191		1.7899
H12	3.6825	4.1600	5.1465	2.3430	6.4209	1.0917	6.4978	1.7899	7.3363	6.4982	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	100.501	C1	S4	C6	100.501
S2	C1	S3	125.516	S2	C1	S4	125.516
S3	C1	S4	108.967	S3	C5	H7	110.578
S3	C5	H9	105.400	S3	C5	H10	110.578
S4	C6	H8	110.578	S4	C6	H11	110.578
S4	C6	H12	105.400	H7	C5	H9	110.240
H7	C5	H10	109.737	H8	C6	H11	109.737
H8	C6	H12	110.240	H9	C5	H10	110.240
H11	C6	H12	110.240

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

using model chemistry: MP2/6-31G*

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

using model chemistry: MP2/6-31G*

States and conformations

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