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	hartrees
Energy at 0K	-1309.678718
Energy at 298.15K	-1309.685196
HF Energy	-1309.678718
Nuclear repulsion energy	430.148174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3341	3034	4.29
2	A	3340	3033	0.04
3	A	3318	3013	3.36
4	A	3318	3013	2.49
5	A	3214	2918	3.73
6	A	3213	2918	33.61
7	A	1571	1427	4.16
8	A	1569	1425	26.81
9	A	1556	1413	19.11
10	A	1556	1413	0.09
11	A	1462	1328	0.86
12	A	1454	1320	14.95
13	A	1172	1064	211.50
14	A	1069	971	17.23
15	A	1062	964	51.24
16	A	1054	957	4.96
17	A	1043	947	0.00
18	A	919	835	158.03
19	A	774	703	2.60
20	A	756	686	0.36
21	A	544	494	0.26
22	A	525	477	0.01
23	A	374	340	1.51
24	A	323	293	2.89
25	A	261	237	6.56
26	A	202	183	0.04
27	A	201	182	0.00
28	A	198	180	2.04
29	A	92	83	6.52
30	A	73	66	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.035	0.000
S2	-0.000	1.671	-0.000
S3	-1.431	-0.988	-0.000
S4	1.431	-0.988	-0.000
C5	-2.806	0.190	0.000
C6	2.806	0.190	0.000
H7	-2.778	0.810	-0.891
H8	2.778	0.810	-0.891
H9	-3.701	-0.430	-0.000
H10	-2.778	0.810	0.892
H11	2.778	0.810	0.892
H12	3.701	-0.430	-0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6366	1.7588	1.7589	2.8101	2.8102	3.0186	3.0187	3.7304	3.0188	3.0188	3.7305
S2	1.6366		3.0197	3.0198	3.1727	3.1730	3.0415	3.0418	4.2563	3.0419	3.0421	4.2566
S3	1.7588	3.0197		2.8624	1.8102	4.3977	2.4168	4.6630	2.3376	2.4168	4.6630	5.1627
S4	1.7589	3.0198	2.8624		4.3977	1.8102	4.6629	2.4167	5.1627	4.6630	2.4167	2.3376
C5	2.8101	3.1727	1.8102	4.3977		5.6117	1.0863	5.6883	1.0894	1.0863	5.6884	6.5367
C6	2.8102	3.1730	4.3977	1.8102	5.6117		5.6883	1.0863	6.5367	5.6884	1.0862	1.0895
H7	3.0186	3.0415	2.4168	4.6629	1.0863	5.6883		5.5557	1.7850	1.7829	5.8348	6.6568
H8	3.0187	3.0418	4.6630	2.4167	5.6883	1.0863	5.5557		6.6568	5.8349	1.7829	1.7851
H9	3.7304	4.2563	2.3376	5.1627	1.0894	6.5367	1.7850	6.6568		1.7850	6.6569	7.4027
H10	3.0188	3.0419	2.4168	4.6630	1.0863	5.6884	1.7829	5.8349	1.7850		5.5559	6.6570
H11	3.0188	3.0421	4.6630	2.4167	5.6884	1.0862	5.8348	1.7829	6.6569	5.5559		1.7851
H12	3.7305	4.2566	5.1627	2.3376	6.5367	1.0895	6.6568	1.7851	7.4027	6.6570	1.7851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	103.866	C1	S4	C6	103.872
S2	C1	S3	125.541	S2	C1	S4	125.541
S3	C1	S4	108.918	S3	C5	H7	110.604
S3	C5	H9	104.695	S3	C5	H10	110.602
S4	C6	H8	110.600	S4	C6	H11	110.600
S4	C6	H12	104.693	H7	C5	H9	110.259
H7	C5	H10	110.297	H8	C6	H11	110.302
H8	C6	H12	110.260	H9	C5	H10	110.259
H11	C6	H12	110.260

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

using model chemistry: HF/cc-pVDZ

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	-0.216
2	S	-0.192
3	S	0.073
4	S	0.073
5	C	-0.128
6	C	-0.128
7	H	0.091
8	H	0.091
9	H	0.076
10	H	0.091
11	H	0.091
12	H	0.076

<r²>	336.024
(<r²>)^1/2	18.331

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

using model chemistry: HF/cc-pVDZ

States and conformations

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