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	hartrees
Energy at 0K	-1312.496360
Energy at 298.15K	-1312.502037
HF Energy	-1312.496360
Nuclear repulsion energy	423.882258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3079	3067	7.47
2	A	3078	3066	0.05
3	A	3068	3057	5.12
4	A	3068	3056	3.09
5	A	2982	2970	5.79
6	A	2982	2970	16.37
7	A	1435	1429	1.82
8	A	1433	1427	30.58
9	A	1418	1412	22.51
10	A	1417	1412	0.03
11	A	1320	1315	0.11
12	A	1313	1308	3.19
13	A	1028	1024	139.76
14	A	957	953	4.50
15	A	955	952	10.72
16	A	955	951	55.53
17	A	942	938	0.00
18	A	751	748	150.30
19	A	671	668	1.14
20	A	658	656	1.14
21	A	475	473	0.93
22	A	455	453	3.76
23	A	328	326	7.21
24	A	288	287	2.20
25	A	225	224	5.37
26	A	172	171	1.91
27	A	148	148	0.00
28	A	148	147	0.00
29	A	84	84	5.99
30	A	35	35	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.044	-0.000
S2	0.000	1.704	-0.000
S3	1.449	-1.011	0.000
S4	-1.449	-1.011	-0.000
C5	2.836	0.197	-0.000
C6	-2.836	0.197	0.000
H7	2.799	0.822	0.898
H8	-2.799	0.822	0.898
H9	3.743	-0.420	0.000
H10	2.799	0.822	-0.898
H11	-2.799	0.823	-0.898
H12	-3.744	-0.420	-0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6596	1.7923	1.7924	2.8404	2.8405	3.0408	3.0412	3.7720	3.0411	3.0408	3.7722
S2	1.6596		3.0769	3.0771	3.2114	3.2117	3.0687	3.0695	4.3038	3.0692	3.0688	4.3041
S3	1.7923	3.0769		2.8984	1.8393	4.4524	2.4470	4.7133	2.3690	2.4471	4.7131	5.2262
S4	1.7924	3.0771	2.8984		4.4525	1.8392	4.7132	2.4470	5.2261	4.7134	2.4470	2.3691
C5	2.8404	3.2114	1.8393	4.4525		5.6726	1.0947	5.7409	1.0972	1.0947	5.7405	6.6087
C6	2.8405	3.2117	4.4524	1.8392	5.6726		5.7406	1.0947	6.6086	5.7410	1.0947	1.0973
H7	3.0408	3.0687	2.4470	4.7132	1.0947	5.7406		5.5985	1.8003	1.7960	5.8790	6.7198
H8	3.0412	3.0695	4.7133	2.4470	5.7409	1.0947	5.5985		6.7199	5.8799	1.7959	1.8003
H9	3.7720	4.3038	2.3690	5.2261	1.0972	6.6086	1.8003	6.7199		1.8003	6.7196	7.4870
H10	3.0411	3.0692	2.4471	4.7134	1.0947	5.7410	1.7960	5.8799	1.8003		5.5984	6.7201
H11	3.0408	3.0688	4.7131	2.4470	5.7405	1.0947	5.8790	1.7959	6.7196	5.5984		1.8003
H12	3.7722	4.3041	5.2262	2.3691	6.6087	1.0973	6.7198	1.8003	7.4870	6.7201	1.8003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	102.906	C1	S4	C6	102.905
S2	C1	S3	126.044	S2	C1	S4	126.050
S3	C1	S4	107.906	S3	C5	H7	110.445
S3	C5	H9	104.716	S3	C5	H10	110.454
S4	C6	H8	110.449	S4	C6	H11	110.448
S4	C6	H12	104.726	H7	C5	H9	110.439
H7	C5	H10	110.233	H8	C6	H11	110.230
H8	C6	H12	110.435	H9	C5	H10	110.435
H11	C6	H12	110.435

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

using model chemistry: BLYP/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	-0.460
2	S	-0.085
3	S	0.237
4	S	0.237
5	C	-0.448
6	C	-0.448
7	H	0.170
8	H	0.170
9	H	0.144
10	H	0.170
11	H	0.170
12	H	0.144

<r²>	344.726
(<r²>)^1/2	18.567

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

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

States and conformations

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