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	hartrees
Energy at 0K	-1312.382675
Energy at 298.15K	-1312.388365
HF Energy	-1312.382675
Nuclear repulsion energy	423.547087

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3101	3077	5.99
2	A	3100	3076	0.00
3	A	3092	3068	4.16
4	A	3091	3067	2.94
5	A	2997	2974	3.49
6	A	2996	2973	16.05
7	A	1446	1435	1.49
8	A	1443	1432	34.19
9	A	1429	1418	18.25
10	A	1429	1418	0.06
11	A	1328	1318	0.21
12	A	1320	1310	4.78
13	A	1037	1029	123.95
14	A	960	952	6.49
15	A	959	951	34.44
16	A	959	951	17.00
17	A	945	938	0.00
18	A	763	757	144.25
19	A	678	673	1.14
20	A	666	661	0.58
21	A	477	473	0.77
22	A	458	455	0.98
23	A	328	325	6.27
24	A	288	286	1.57
25	A	228	226	7.33
26	A	173	172	1.85
27	A	148	146	0.00
28	A	147	146	0.00
29	A	86	86	5.62
30	A	42	41	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.042	0.000
S2	-0.000	1.705	0.000
S3	-1.451	-1.014	0.001
S4	1.451	-1.014	-0.001
C5	-2.832	0.201	-0.001
C6	2.832	0.201	0.000
H7	-2.788	0.829	-0.899
H8	2.787	0.831	-0.897
H9	-3.748	-0.407	-0.001
H10	-2.789	0.830	0.897
H11	2.789	0.829	0.899
H12	3.748	-0.407	-0.001

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6631	1.7949	1.7950	2.8368	2.8369	3.0331	3.0327	3.7749	3.0334	3.0337	3.7750
S2	1.6631		3.0826	3.0827	3.2068	3.2071	3.0575	3.0562	4.3022	3.0571	3.0585	4.3024
S3	1.7949	3.0826		2.9017	1.8404	4.4525	2.4488	4.7090	2.3763	2.4488	4.7093	5.2344
S4	1.7950	3.0827	2.9017		4.4524	1.8404	4.7088	2.4487	5.2343	4.7097	2.4488	2.3764
C5	2.8368	3.2068	1.8404	4.4524		5.6648	1.0972	5.7256	1.0992	1.0971	5.7271	6.6086
C6	2.8369	3.2071	4.4525	1.8404	5.6648		5.7263	1.0971	6.6085	5.7267	1.0971	1.0992
H7	3.0331	3.0575	2.4488	4.7088	1.0972	5.7263		5.5753	1.8048	1.7966	5.8594	6.7122
H8	3.0327	3.0562	4.7090	2.4487	5.7256	1.0971	5.5753		6.7118	5.8576	1.7966	1.8048
H9	3.7749	4.3022	2.3763	5.2343	1.0992	6.6085	1.8048	6.7118		1.8048	6.7130	7.4963
H10	3.0334	3.0571	2.4488	4.7097	1.0971	5.7267	1.7966	5.8576	1.8048		5.5772	6.7131
H11	3.0337	3.0585	4.7093	2.4488	5.7271	1.0971	5.8594	1.7966	6.7130	5.5772		1.8048
H12	3.7750	4.3024	5.2344	2.3764	6.6086	1.0992	6.7122	1.8048	7.4963	6.7131	1.8048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	102.580	C1	S4	C6	102.581
S2	C1	S3	126.068	S2	C1	S4	126.072
S3	C1	S4	107.860	S3	C5	H7	110.371
S3	C5	H9	105.063	S3	C5	H10	110.375
S4	C6	H8	110.363	S4	C6	H11	110.370
S4	C6	H12	105.071	H7	C5	H9	110.512
H7	C5	H10	109.921	H8	C6	H11	109.921
H8	C6	H12	110.516	H9	C5	H10	110.511
H11	C6	H12	110.512

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

using model chemistry: BLYP/6-31G**

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	-0.334
2	S	-0.141
3	S	0.211
4	S	0.211
5	C	-0.429
6	C	-0.429
7	H	0.160
8	H	0.160
9	H	0.135
10	H	0.160
11	H	0.160
12	H	0.135

	x	y	z
x	18.522	0.001	0.001
y	0.001	14.592	0.002
z	0.001	0.002	7.239

<r²>	343.835
(<r²>)^1/2	18.543

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

using model chemistry: BLYP/6-31G**

States and conformations

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