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	hartrees
Energy at 0K	-1311.788807
Energy at 298.15K	-1311.794649
HF Energy	-1311.788807
Nuclear repulsion energy	427.843113

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3114	3071	2.36
2	A	3113	3070	0.00
3	A	3110	3068	1.56
4	A	3110	3067	1.97
5	A	3005	2964	0.89
6	A	3005	2963	12.32
7	A	1429	1410	2.06
8	A	1426	1406	38.54
9	A	1412	1393	24.78
10	A	1412	1392	0.00
11	A	1321	1303	0.01
12	A	1312	1294	0.18
13	A	1071	1056	144.50
14	A	960	947	24.15
15	A	958	945	8.38
16	A	958	945	12.06
17	A	944	931	0.00
18	A	810	799	133.08
19	A	716	706	1.63
20	A	706	696	1.24
21	A	496	490	0.61
22	A	466	460	1.26
23	A	337	333	5.49
24	A	297	293	1.39
25	A	234	231	7.68
26	A	177	175	1.83
27	A	152	150	0.02
28	A	151	149	0.00
29	A	91	90	5.95
30	A	52	51	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.031	-0.000
S2	0.000	1.687	-0.000
S3	1.439	-1.009	-0.000
S4	-1.439	-1.009	0.000
C5	2.788	0.209	-0.000
C6	-2.788	0.209	0.000
H7	2.735	0.841	0.898
H8	-2.735	0.841	0.898
H9	3.716	-0.381	-0.000
H10	2.735	0.841	-0.898
H11	-2.735	0.841	-0.898
H12	-3.716	-0.381	0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6561	1.7756	1.7756	2.7933	2.7933	2.9905	2.9905	3.7387	2.9904	2.9905	3.7387
S2	1.6561		3.0558	3.0558	3.1549	3.1549	3.0005	3.0005	4.2527	3.0005	3.0004	4.2527
S3	1.7756	3.0558		2.8789	1.8169	4.3990	2.4301	4.6533	2.3613	2.4301	4.6534	5.1934
S4	1.7756	3.0558	2.8789		4.3990	1.8169	4.6533	2.4301	5.1934	4.6533	2.4301	2.3613
C5	2.7933	3.1549	1.8169	4.3990		5.5751	1.0990	5.6306	1.1003	1.0990	5.6307	6.5302
C6	2.7933	3.1549	4.3990	1.8169	5.5751		5.6307	1.0990	6.5302	5.6307	1.0990	1.1003
H7	2.9905	3.0005	2.4301	4.6533	1.0990	5.6307		5.4701	1.8060	1.7959	5.7574	6.6268
H8	2.9905	3.0005	4.6533	2.4301	5.6306	1.0990	5.4701		6.6268	5.7574	1.7959	1.8060
H9	3.7387	4.2527	2.3613	5.1934	1.1003	6.5302	1.8060	6.6268		1.8060	6.6268	7.4318
H10	2.9904	3.0005	2.4301	4.6533	1.0990	5.6307	1.7959	5.7574	1.8060		5.4702	6.6268
H11	2.9905	3.0004	4.6534	2.4301	5.6307	1.0990	5.7574	1.7959	6.6268	5.4702		1.8060
H12	3.7387	4.2527	5.1934	2.3613	6.5302	1.1003	6.6268	1.8060	7.4318	6.6268	1.8060

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	102.067	C1	S4	C6	102.067
S2	C1	S3	125.834	S2	C1	S4	125.834
S3	C1	S4	108.332	S3	C5	H7	110.469
S3	C5	H9	105.436	S3	C5	H10	110.469
S4	C6	H8	110.469	S4	C6	H11	110.469
S4	C6	H12	105.436	H7	C5	H9	110.408
H7	C5	H10	109.591	H8	C6	H11	109.591
H8	C6	H12	110.408	H9	C5	H10	110.408
H11	C6	H12	110.408

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	-0.399
2	S	-0.126
3	S	0.249
4	S	0.249
5	C	-0.529
6	C	-0.529
7	H	0.188
8	H	0.188
9	H	0.166
10	H	0.188
11	H	0.188
12	H	0.166

	x	y	z
x	18.265	0.000	-0.001
y	0.000	14.524	0.000
z	-0.001	0.000	7.265

<r²>	336.686
(<r²>)^1/2	18.349

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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