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	hartrees
Energy at 0K	-1311.892002
Energy at 298.15K	-1311.897819
HF Energy	-1311.892002
Nuclear repulsion energy	428.263719

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3093	3064	3.95
2	A'	3088	3060	2.93
3	A'	2990	2963	1.60
4	A'	1417	1404	2.20
5	A'	1399	1386	27.07
6	A'	1309	1297	0.01
7	A'	1062	1053	161.83
8	A'	954	946	25.92
9	A'	952	943	12.19
10	A'	709	702	1.69
11	A'	495	490	0.68
12	A'	462	458	3.74
13	A'	296	294	1.81
14	A'	175	173	1.99
15	A'	150	149	0.00
16	A'	89	88	6.31
17	A"	3091	3063	0.00
18	A"	3088	3060	2.37
19	A"	2990	2963	14.68
20	A"	1414	1401	33.82
21	A"	1398	1385	0.00
22	A"	1300	1289	0.19
23	A"	952	943	9.66
24	A"	937	929	0.00
25	A"	799	792	139.87
26	A"	698	692	1.53
27	A"	336	333	5.77
28	A"	230	228	5.86
29	A"	149	147	0.00
30	A"	46	46	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.032	0.000
S2	0.000	1.685	0.000
S3	-0.000	-1.005	1.437
S4	-0.000	-1.005	-1.437
C5	-0.000	0.206	2.790
C6	-0.000	0.206	-2.790
H7	-0.898	0.834	2.743
H8	-0.898	0.834	-2.743
H9	0.000	-0.394	3.710
H10	0.898	0.834	2.743
H11	0.898	0.834	-2.743
H12	0.000	-0.394	-3.710

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6528	1.7727	1.7727	2.7951	2.7951	2.9956	2.9956	3.7346	2.9956	2.9956	3.7346
S2	1.6528		3.0503	3.0503	3.1575	3.1575	3.0093	3.0093	4.2531	3.0092	3.0092	4.2531
S3	1.7727	3.0503		2.8743	1.8157	4.3970	2.4281	4.6544	2.3537	2.4281	4.6544	5.1835
S4	1.7727	3.0503	2.8743		4.3970	1.8157	4.6544	2.4281	5.1835	4.6544	2.4281	2.3537
C5	2.7951	3.1575	1.8157	4.3970		5.5793	1.0971	5.6402	1.0989	1.0971	5.6401	6.5275
C6	2.7951	3.1575	4.3970	1.8157	5.5793		5.6402	1.0971	6.5275	5.6401	1.0971	1.0989
H7	2.9956	3.0093	2.4281	4.6544	1.0971	5.6402		5.4860	1.8030	1.7968	5.7727	6.6301
H8	2.9956	3.0093	4.6544	2.4281	5.6402	1.0971	5.4860		6.6301	5.7727	1.7968	1.8030
H9	3.7346	4.2531	2.3537	5.1835	1.0989	6.5275	1.8030	6.6301		1.8030	6.6301	7.4203
H10	2.9956	3.0092	2.4281	4.6544	1.0971	5.6401	1.7968	5.7727	1.8030		5.4859	6.6301
H11	2.9956	3.0092	4.6544	2.4281	5.6401	1.0971	5.7727	1.7968	6.6301	5.4859		1.8030
H12	3.7346	4.2531	5.1835	2.3537	6.5275	1.0989	6.6301	1.8030	7.4203	6.6301	1.8030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	102.315	C1	S4	C6	102.315
S2	C1	S3	125.833	S2	C1	S4	125.833
S3	C1	S4	108.334	S3	C5	H7	110.497
S3	C5	H9	105.040	S3	C5	H10	110.497
S4	C6	H8	110.497	S4	C6	H11	110.497
S4	C6	H12	105.040	H7	C5	H9	110.380
H7	C5	H10	109.955	H8	C6	H11	109.955
H8	C6	H12	110.380	H9	C5	H10	110.381
H11	C6	H12	110.381

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	-0.492
2	S	-0.079
3	S	0.256
4	S	0.256
5	C	-0.518
6	C	-0.518
7	H	0.191
8	H	0.191
9	H	0.165
10	H	0.191
11	H	0.191
12	H	0.165

<r²>	337.153
(<r²>)^1/2	18.362

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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