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	hartrees
Energy at 0K	-1310.429307
Energy at 298.15K	-1310.435626
HF Energy	-1309.613185
Nuclear repulsion energy	432.564170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3241	3054	1.85
2	A	3240	3053	0.00
3	A	3232	3045	1.47
4	A	3232	3045	2.95
5	A	3126	2945	9.30
6	A	3126	2945	1.38
7	A	1531	1443	1.38
8	A	1529	1440	32.85
9	A	1513	1426	23.79
10	A	1513	1426	0.00
11	A	1438	1355	0.05
12	A	1431	1348	0.60
13	A	1161	1094	150.86
14	A	1039	979	7.58
15	A	1037	978	20.71
16	A	1034	975	10.71
17	A	1027	968	0.00
18	A	882	831	173.64
19	A	778	733	1.85
20	A	765	721	2.08
21	A	531	500	2.46
22	A	495	467	1.52
23	A	366	345	4.45
24	A	319	301	2.12
25	A	259	244	4.82
26	A	206	194	0.00
27	A	202	190	0.00
28	A	198	186	1.39
29	A	91	85	5.60
30	A	52	49	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.020	-0.000
S2	0.000	1.657	-0.000
S3	-1.431	-1.001	-0.000
S4	1.431	-1.001	0.000
C5	-2.749	0.223	0.000
C6	2.749	0.223	0.000
H7	-2.695	0.851	-0.890
H8	2.695	0.851	-0.890
H9	-3.682	-0.344	0.000
H10	-2.695	0.850	0.890
H11	2.695	0.850	0.890
H12	3.682	-0.344	-0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6370	1.7575	1.7575	2.7561	2.7561	2.9572	2.9572	3.6998	2.9572	2.9573	3.6998
S2	1.6370		3.0183	3.0183	3.1001	3.1001	2.9506	2.9505	4.1904	2.9506	2.9507	4.1904
S3	1.7575	3.0183		2.8614	1.7984	4.3548	2.4119	4.6088	2.3450	2.4119	4.6089	5.1546
S4	1.7575	3.0183	2.8614		4.3548	1.7984	4.6089	2.4119	5.1546	4.6088	2.4119	2.3450
C5	2.7561	3.1001	1.7984	4.3548		5.4971	1.0900	5.5515	1.0920	1.0900	5.5516	6.4554
C6	2.7561	3.1001	4.3548	1.7984	5.4971		5.5516	1.0900	6.4554	5.5515	1.0900	1.0920
H7	2.9572	2.9506	2.4119	4.6089	1.0900	5.5516		5.3903	1.7865	1.7795	5.6765	6.5486
H8	2.9572	2.9505	4.6088	2.4119	5.5515	1.0900	5.3903		6.5486	5.6764	1.7795	1.7865
H9	3.6998	4.1904	2.3450	5.1546	1.0920	6.4554	1.7865	6.5486		1.7865	6.5486	7.3637
H10	2.9572	2.9506	2.4119	4.6088	1.0900	5.5515	1.7795	5.6764	1.7865		5.3903	6.5486
H11	2.9573	2.9507	4.6089	2.4119	5.5516	1.0900	5.6765	1.7795	6.5486	5.3903		1.7865
H12	3.6998	4.1904	5.1546	2.3450	6.4554	1.0920	6.5486	1.7865	7.3637	6.5486	1.7865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	101.616	C1	S4	C6	101.616
S2	C1	S3	125.504	S2	C1	S4	125.504
S3	C1	S4	108.992	S3	C5	H7	110.841
S3	C5	H9	105.846	S3	C5	H10	110.841
S4	C6	H8	110.841	S4	C6	H11	110.841
S4	C6	H12	105.846	H7	C5	H9	109.918
H7	C5	H10	109.426	H8	C6	H11	109.426
H8	C6	H12	109.918	H9	C5	H10	109.918
H11	C6	H12	109.918

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C3H6S3 (Carbonotrithioic acid, dimethyl ester)

using model chemistry: MP2=FULL/6-31G*

States and conformations

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