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	hartrees
Energy at 0K	-1309.764087
Energy at 298.15K	-1309.770306
HF Energy	-1309.764087
Nuclear repulsion energy	432.095409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3304	3007	7.53
2	A	3303	3006	0.00
3	A	3281	2986	5.52
4	A	3281	2986	2.77
5	A	3195	2908	2.31
6	A	3195	2908	31.79
7	A	1594	1451	3.43
8	A	1592	1449	25.55
9	A	1577	1435	20.44
10	A	1577	1435	0.01
11	A	1486	1353	0.41
12	A	1479	1346	11.78
13	A	1165	1060	205.35
14	A	1078	981	12.59
15	A	1067	971	77.60
16	A	1066	970	3.10
17	A	1054	959	0.00
18	A	917	834	157.81
19	A	768	699	1.50
20	A	761	693	0.16
21	A	530	483	0.12
22	A	476	433	0.35
23	A	318	289	5.58
24	A	269	245	2.68
25	A	205	186	0.00
26	A	202	184	0.00
27	A	198	180	0.85
28	A	149	136	4.67
29	A	105	96	2.46
30	A	90	82	4.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.037	-0.000
S2	-0.000	1.666	-0.000
S3	1.422	-0.980	-0.000
S4	-1.422	-0.980	0.000
C5	2.801	0.182	0.000
C6	-2.801	0.181	-0.000
H7	2.780	0.798	0.884
H8	-2.780	0.798	0.884
H9	3.686	-0.439	0.000
H10	2.780	0.798	-0.883
H11	-2.780	0.798	-0.883
H12	-3.686	-0.439	-0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6296	1.7484	1.7484	2.8043	2.8043	3.0145	3.0148	3.7162	3.0146	3.0144	3.7162
S2	1.6296		3.0046	3.0046	3.1698	3.1698	3.0435	3.0438	4.2447	3.0434	3.0432	4.2447
S3	1.7484	3.0046		2.8443	1.8027	4.3796	2.4054	4.6478	2.3272	2.4054	4.6474	5.1363
S4	1.7484	3.0046	2.8443		4.3796	1.8028	4.6474	2.4054	5.1363	4.6476	2.4054	2.3272
C5	2.8043	3.1698	1.8027	4.3796		5.6010	1.0774	5.6836	1.0811	1.0774	5.6833	6.5157
C6	2.8043	3.1698	4.3796	1.8028	5.6010		5.6833	1.0774	6.5158	5.6835	1.0774	1.0811
H7	3.0145	3.0435	2.4054	4.6474	1.0774	5.6833		5.5599	1.7696	1.7670	5.8336	6.6417
H8	3.0148	3.0438	4.6478	2.4054	5.6836	1.0774	5.5599		6.6420	5.8341	1.7670	1.7695
H9	3.7162	4.2447	2.3272	5.1363	1.0811	6.5158	1.7696	6.6420		1.7695	6.6417	7.3712
H10	3.0146	3.0434	2.4054	4.6476	1.0774	5.6835	1.7670	5.8341	1.7695		5.5597	6.6418
H11	3.0144	3.0432	4.6474	2.4054	5.6833	1.0774	5.8336	1.7670	6.6417	5.5597		1.7695
H12	3.7162	4.2447	5.1363	2.3272	6.5157	1.0811	6.6417	1.7695	7.3712	6.6418	1.7695

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	104.299	C1	S4	C6	104.300
S2	C1	S3	125.571	S2	C1	S4	125.572
S3	C1	S4	108.858	S3	C5	H7	110.735
S3	C5	H9	104.825	S3	C5	H10	110.735
S4	C6	H8	110.735	S4	C6	H11	110.736
S4	C6	H12	104.825	H7	C5	H9	110.130
H7	C5	H10	110.174	H8	C6	H11	110.173
H8	C6	H12	110.128	H9	C5	H10	110.127
H11	C6	H12	110.128

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

using model chemistry: HF/cc-pVTZ

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	0.066
2	S	-0.301
3	S	-0.004
4	S	-0.004
5	C	-0.257
6	C	-0.257
7	H	0.130
8	H	0.130
9	H	0.118
10	H	0.130
11	H	0.130
12	H	0.118

	x	y	z	Total
	-0.000	-0.393	0.000	0.393
CHELPG
AIM	0.000	-0.534	-0.000	0.534
ESP	0.013	-0.420	0.000	0.420

<r²>	333.798
(<r²>)^1/2	18.270

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

using model chemistry: HF/cc-pVTZ

States and conformations

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