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	hartrees
Energy at 0K	-1311.795142
Energy at 298.15K	-1311.800996
HF Energy	-1311.795142
Nuclear repulsion energy	427.625285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3105	3069	2.62
2	A	3104	3068	0.00
3	A	3103	3068	1.84
4	A	3103	3067	2.07
5	A	2998	2964	1.07
6	A	2998	2964	17.95
7	A	1423	1407	2.15
8	A	1420	1403	40.35
9	A	1404	1388	29.83
10	A	1403	1387	0.00
11	A	1318	1303	0.02
12	A	1310	1295	0.10
13	A	1064	1052	150.57
14	A	958	947	24.78
15	A	956	945	9.81
16	A	954	943	6.04
17	A	940	930	0.00
18	A	807	798	137.34
19	A	714	706	1.59
20	A	704	696	1.71
21	A	496	490	0.58
22	A	464	459	3.28
23	A	338	334	5.64
24	A	297	293	1.46
25	A	233	231	6.05
26	A	176	174	1.94
27	A	161	159	0.02
28	A	158	156	0.00
29	A	90	89	5.94
30	A	48	47	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.031	-0.000
S2	0.000	1.689	-0.000
S3	1.440	-1.008	-0.000
S4	-1.440	-1.008	0.000
C5	2.791	0.206	-0.000
C6	-2.791	0.206	0.000
H7	2.744	0.838	0.898
H8	-2.744	0.838	0.899
H9	3.717	-0.389	-0.000
H10	2.744	0.838	-0.899
H11	-2.744	0.838	-0.898
H12	-3.717	-0.389	0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6574	1.7753	1.7753	2.7967	2.7967	2.9983	2.9983	3.7408	2.9983	2.9983	3.7408
S2	1.6574		3.0566	3.0566	3.1605	3.1605	3.0102	3.0102	4.2584	3.0102	3.0102	4.2584
S3	1.7753	3.0566		2.8790	1.8167	4.4014	2.4326	4.6603	2.3600	2.4326	4.6605	5.1935
S4	1.7753	3.0566	2.8790		4.4014	1.8167	4.6604	2.4326	5.1935	4.6603	2.4326	2.3600
C5	2.7967	3.1605	1.8167	4.4014		5.5825	1.0996	5.6435	1.1008	1.0996	5.6435	6.5355
C6	2.7967	3.1605	4.4014	1.8167	5.5825		5.6435	1.0996	6.5355	5.6435	1.0996	1.1008
H7	2.9983	3.0102	2.4326	4.6604	1.0996	5.6435		5.4885	1.8057	1.7969	5.7752	6.6380
H8	2.9983	3.0102	4.6603	2.4326	5.6435	1.0996	5.4885		6.6380	5.7752	1.7969	1.8057
H9	3.7408	4.2584	2.3600	5.1935	1.1008	6.5355	1.8057	6.6380		1.8057	6.6380	7.4341
H10	2.9983	3.0102	2.4326	4.6603	1.0996	5.6435	1.7969	5.7752	1.8057		5.4886	6.6380
H11	2.9983	3.0102	4.6605	2.4326	5.6435	1.0996	5.7752	1.7969	6.6380	5.4886		1.8057
H12	3.7408	4.2584	5.1935	2.3600	6.5355	1.1008	6.6380	1.8057	7.4341	6.6380	1.8057

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	102.256	C1	S4	C6	102.256
S2	C1	S3	125.821	S2	C1	S4	125.821
S3	C1	S4	108.359	S3	C5	H7	110.633
S3	C5	H9	105.329	S3	C5	H10	110.633
S4	C6	H8	110.633	S4	C6	H11	110.633
S4	C6	H12	105.329	H7	C5	H9	110.300
H7	C5	H10	109.583	H8	C6	H11	109.583
H8	C6	H12	110.300	H9	C5	H10	110.300
H11	C6	H12	110.300

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

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

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	-0.444
2	S	-0.010
3	S	0.165
4	S	0.165
5	C	-0.606
6	C	-0.606
7	H	0.233
8	H	0.233
9	H	0.202
10	H	0.233
11	H	0.233
12	H	0.202

	x	y	z
x	19.879	0.000	-0.001
y	0.000	16.568	0.000
z	-0.001	0.000	9.311

<r²>	337.834
(<r²>)^1/2	18.380

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

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

States and conformations

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