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	hartrees
Energy at 0K	-49.752164
Energy at 298.15K	-49.758632
HF Energy	-49.752164
Nuclear repulsion energy	114.271220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3378	3034	27.30
2	A	3377	3033	0.00
3	A	3354	3012	17.89
4	A	3354	3012	10.07
5	A	3255	2923	1.69
6	A	3255	2923	75.98
7	A	1603	1440	3.09
8	A	1602	1438	20.94
9	A	1591	1429	13.82
10	A	1590	1428	0.00
11	A	1501	1348	2.71
12	A	1493	1341	22.22
13	A	1174	1054	201.73
14	A	1086	975	8.92
15	A	1074	965	79.62
16	A	1073	964	4.16
17	A	1062	953	0.00
18	A	936	841	169.47
19	A	789	708	2.47
20	A	770	691	1.38
21	A	545	490	0.04
22	A	519	466	0.03
23	A	370	333	1.40
24	A	319	286	3.15
25	A	257	231	5.27
26	A	215	193	0.13
27	A	213	191	0.00
28	A	195	175	2.23
29	A	92	83	7.69
30	A	73	65	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	-0.027	-0.000
S2	-0.000	1.621	-0.000
S3	1.436	-1.054	-0.000
S4	-1.436	-1.054	0.000
C5	2.818	0.128	0.000
C6	-2.818	0.128	-0.000
H7	2.792	0.748	0.890
H8	-2.792	0.748	0.890
H9	3.712	-0.492	0.000
H10	2.792	0.748	-0.890
H11	-2.792	0.748	-0.890
H12	-3.712	-0.492	0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6482	1.7654	1.7653	2.8224	2.8223	3.0311	3.0312	3.7414	3.0314	3.0311	3.7413
S2	1.6482		3.0361	3.0361	3.1888	3.1888	3.0574	3.0574	4.2714	3.0576	3.0574	4.2714
S3	1.7654	3.0361		2.8719	1.8191	4.4154	2.4249	4.6815	2.3450	2.4249	4.6813	5.1790
S4	1.7653	3.0361	2.8719		4.4154	1.8191	4.6813	2.4249	5.1790	4.6816	2.4248	2.3449
C5	2.8224	3.1888	1.8191	4.4154		5.6361	1.0849	5.7138	1.0884	1.0849	5.7138	6.5599
C6	2.8223	3.1888	4.4154	1.8191	5.6361		5.7136	1.0849	6.5599	5.7139	1.0849	1.0884
H7	3.0311	3.0574	2.4249	4.6813	1.0849	5.7136		5.5836	1.7825	1.7800	5.8605	6.6808
H8	3.0312	3.0574	4.6815	2.4249	5.7138	1.0849	5.5836		6.6810	5.8607	1.7800	1.7825
H9	3.7414	4.2714	2.3450	5.1790	1.0884	6.5599	1.7825	6.6810		1.7825	6.6810	7.4249
H10	3.0314	3.0576	2.4249	4.6816	1.0849	5.7139	1.7800	5.8607	1.7825		5.5839	6.6812
H11	3.0311	3.0574	4.6813	2.4248	5.7138	1.0849	5.8605	1.7800	6.6810	5.5839		1.7825
H12	3.7413	4.2714	5.1790	2.3449	6.5599	1.0884	6.6808	1.7825	7.4249	6.6812	1.7825

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	103.874	C1	S4	C6	103.872
S2	C1	S3	125.569	S2	C1	S4	125.571
S3	C1	S4	108.860	S3	C5	H7	110.678
S3	C5	H9	104.701	S3	C5	H10	110.678
S4	C6	H8	110.678	S4	C6	H11	110.677
S4	C6	H12	104.701	H7	C5	H9	110.206
H7	C5	H10	110.247	H8	C6	H11	110.247
H8	C6	H12	110.207	H9	C5	H10	110.207
H11	C6	H12	110.207

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

using model chemistry: HF/CEP-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	-0.042
2	S	-0.279
3	S	0.005
4	S	0.005
5	C	-0.351
6	C	-0.351
7	H	0.174
8	H	0.174
9	H	0.159
10	H	0.174
11	H	0.174
12	H	0.159

<r²>	215.960
(<r²>)^1/2	14.696

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

using model chemistry: HF/CEP-31G*

States and conformations

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