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	hartrees
Energy at 0K	-1303.107654
Energy at 298.15K	-1303.113869
HF Energy	-1303.107654
Nuclear repulsion energy	421.121039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3371	3053	0.29
2	A	3371	3053	0.00
3	A	3354	3037	0.13
4	A	3353	3037	0.62
5	A	3253	2946	1.99
6	A	3253	2946	15.13
7	A	1630	1476	4.75
8	A	1627	1474	28.93
9	A	1626	1473	30.19
10	A	1626	1472	0.09
11	A	1511	1369	0.00
12	A	1504	1362	12.17
13	A	1128	1022	15.02
14	A	1103	999	5.76
15	A	1083	981	7.35
16	A	1076	975	0.00
17	A	1047	948	190.69
18	A	853	773	146.05
19	A	691	626	4.39
20	A	670	607	10.60
21	A	513	465	0.14
22	A	495	449	0.02
23	A	355	321	1.28
24	A	307	278	2.97
25	A	249	226	7.98
26	A	189	171	1.82
27	A	181	164	0.06
28	A	181	164	0.00
29	A	84	76	8.30
30	A	79	71	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.019	-0.000
S2	-0.000	1.687	-0.000
S3	1.469	-1.022	0.000
S4	-1.469	-1.022	-0.000
C5	2.865	0.243	0.000
C6	-2.865	0.243	0.000
H7	2.793	0.847	0.887
H8	-2.792	0.847	0.887
H9	3.768	-0.348	-0.000
H10	2.793	0.848	-0.887
H11	-2.793	0.847	-0.887
H12	-3.768	-0.348	0.001

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6676	1.8005	1.8005	2.8739	2.8738	3.0450	3.0445	3.7857	3.0447	3.0449	3.7856
S2	1.6676		3.0818	3.0817	3.2088	3.2086	3.0485	3.0476	4.2824	3.0480	3.0483	4.2822
S3	1.8005	3.0818		2.9371	1.8842	4.5145	2.4567	4.7368	2.3961	2.4567	4.7372	5.2795
S4	1.8005	3.0817	2.9371		4.5145	1.8843	4.7372	2.4566	5.2796	4.7370	2.4567	2.3960
C5	2.8739	3.2088	1.8842	4.5145		5.7304	1.0760	5.7584	1.0787	1.0760	5.7590	6.6592
C6	2.8738	3.2086	4.5145	1.8843	5.7304		5.7589	1.0760	6.6592	5.7587	1.0760	1.0787
H7	3.0450	3.0485	2.4567	4.7372	1.0760	5.7589		5.5851	1.7795	1.7741	5.8607	6.7273
H8	3.0445	3.0476	4.7368	2.4566	5.7584	1.0760	5.5851		6.7269	5.8597	1.7741	1.7795
H9	3.7857	4.2824	2.3961	5.2796	1.0787	6.6592	1.7795	6.7269		1.7795	6.7274	7.5356
H10	3.0447	3.0480	2.4567	4.7370	1.0760	5.7587	1.7741	5.8597	1.7795		5.5854	6.7272
H11	3.0449	3.0483	4.7372	2.4567	5.7590	1.0760	5.8607	1.7741	6.7274	5.5854		1.7795
H12	3.7856	4.2822	5.2795	2.3960	6.6592	1.0787	6.7273	1.7795	7.5356	6.7272	1.7795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	102.486	C1	S4	C6	102.483
S2	C1	S3	125.352	S2	C1	S4	125.349
S3	C1	S4	109.299	S3	C5	H7	109.103
S3	C5	H9	104.636	S3	C5	H10	109.106
S4	C6	H8	109.099	S4	C6	H11	109.102
S4	C6	H12	104.636	H7	C5	H9	111.353
H7	C5	H10	111.053	H8	C6	H11	111.054
H8	C6	H12	111.357	H9	C5	H10	111.354
H11	C6	H12	111.357

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

using model chemistry: HF/3-21G

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	-0.968
2	S	0.108
3	S	0.467
4	S	0.467
5	C	-0.842
6	C	-0.842
7	H	0.275
8	H	0.275
9	H	0.256
10	H	0.275
11	H	0.275
12	H	0.256

	x	y	z	Total
	0.000	0.110	0.000	0.110
CHELPG	-0.001	-0.574	0.001	0.574
AIM
ESP	0.018	0.086	0.000	0.088

<r²>	349.350
(<r²>)^1/2	18.691

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

using model chemistry: HF/3-21G

States and conformations

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