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	hartrees
Energy at 0K	-1308.815868
Energy at 298.15K	-1308.821810
HF Energy	-1308.815868
Nuclear repulsion energy	434.908722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3088	3050	0.47
2	A	3088	3050	0.89
3	A	3080	3042	0.11
4	A	3079	3041	0.00
5	A	2980	2944	5.92
6	A	2980	2944	1.00
7	A	1386	1369	2.91
8	A	1382	1365	40.50
9	A	1365	1348	39.32
10	A	1364	1347	0.00
11	A	1293	1277	0.12
12	A	1283	1268	5.42
13	A	1092	1079	164.96
14	A	947	936	28.58
15	A	946	934	17.31
16	A	944	932	15.37
17	A	930	919	0.00
18	A	843	833	110.94
19	A	748	739	2.30
20	A	739	730	2.33
21	A	516	509	0.42
22	A	473	467	4.57
23	A	347	343	5.36
24	A	309	305	1.59
25	A	245	242	6.03
26	A	184	182	2.01
27	A	140	139	0.06
28	A	136	134	0.00
29	A	96	95	6.46
30	A	60	59	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.009	-0.000
S2	-0.000	1.648	-0.000
S3	-1.425	-1.000	0.000
S4	1.425	-1.000	-0.000
C5	-2.719	0.230	0.000
C6	2.719	0.230	-0.000
H7	-2.649	0.864	-0.895
H8	2.649	0.864	-0.896
H9	-3.665	-0.330	0.000
H10	-2.649	0.864	0.896
H11	2.649	0.864	0.895
H12	3.665	-0.330	-0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6390	1.7458	1.7458	2.7278	2.7278	2.9237	2.9237	3.6804	2.9237	2.9237	3.6804
S2	1.6390		3.0068	3.0068	3.0664	3.0664	2.9041	2.9041	4.1647	2.9042	2.9041	4.1647
S3	1.7458	3.0068		2.8497	1.7851	4.3223	2.4024	4.5681	2.3377	2.4023	4.5682	5.1334
S4	1.7458	3.0068	2.8497		4.3223	1.7851	4.5682	2.4023	5.1334	4.5681	2.4024	2.3377
C5	2.7278	3.0664	1.7851	4.3223		5.4376	1.0991	5.4785	1.0995	1.0991	5.4785	6.4081
C6	2.7278	3.0664	4.3223	1.7851	5.4376		5.4786	1.0991	6.4081	5.4785	1.0991	1.0995
H7	2.9237	2.9041	2.4024	4.5682	1.0991	5.4786		5.2977	1.8054	1.7911	5.5922	6.4876
H8	2.9237	2.9041	4.5681	2.4023	5.4785	1.0991	5.2977		6.4875	5.5922	1.7911	1.8054
H9	3.6804	4.1647	2.3377	5.1334	1.0995	6.4081	1.8054	6.4875		1.8054	6.4876	7.3295
H10	2.9237	2.9042	2.4023	4.5681	1.0991	5.4785	1.7911	5.5922	1.8054		5.2976	6.4875
H11	2.9237	2.9041	4.5682	2.4024	5.4785	1.0991	5.5922	1.7911	6.4876	5.2976		1.8054
H12	3.6804	4.1647	5.1334	2.3377	6.4081	1.0995	6.4876	1.8054	7.3295	6.4875	1.8054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	101.157	C1	S4	C6	101.158
S2	C1	S3	125.299	S2	C1	S4	125.299
S3	C1	S4	109.402	S3	C5	H7	110.538
S3	C5	H9	105.807	S3	C5	H10	110.537
S4	C6	H8	110.537	S4	C6	H11	110.538
S4	C6	H12	105.807	H7	C5	H9	110.397
H7	C5	H10	109.136	H8	C6	H11	109.136
H8	C6	H12	110.397	H9	C5	H10	110.397
H11	C6	H12	110.397

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

using model chemistry: LSDA/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	-0.553
2	S	-0.065
3	S	0.304
4	S	0.304
5	C	-0.634
6	C	-0.634
7	H	0.222
8	H	0.222
9	H	0.196
10	H	0.222
11	H	0.222
12	H	0.196

	x	y	z
x	19.333	0.000	-0.001
y	0.000	15.809	0.000
z	-0.001	0.000	7.407

<r²>	326.601
(<r²>)^1/2	18.072

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

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

States and conformations

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