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	hartrees
Energy at 0K	-1310.931611
Energy at 298.15K	-1310.937973
HF Energy	-1309.701040
Nuclear repulsion energy	432.812348

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3214	3044	3.03
2	A	3213	3043	0.00
3	A	3205	3035	2.56
4	A	3204	3035	3.61
5	A	3099	2935	9.41
6	A	3099	2935	5.78
7	A	1511	1431	1.70
8	A	1508	1429	30.80
9	A	1492	1413	0.05
10	A	1491	1413	26.46
11	A	1422	1347	0.14
12	A	1414	1339	0.08
13	A	1151	1090	170.88
14	A	1028	973	14.06
15	A	1027	973	22.54
16	A	1023	969	9.70
17	A	1015	961	0.00
18	A	870	824	177.84
19	A	771	730	1.90
20	A	758	718	2.52
21	A	529	501	2.77
22	A	489	463	4.19
23	A	367	347	4.95
24	A	318	301	2.51
25	A	258	244	3.42
26	A	224	212	0.08
27	A	222	210	0.00
28	A	197	187	1.73
29	A	87	83	6.07
30	A	48	46	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.021	-0.000
S2	0.000	1.657	-0.000
S3	1.429	-0.999	0.000
S4	-1.429	-0.999	-0.000
C5	2.749	0.220	-0.000
C6	-2.749	0.220	0.000
H7	2.700	0.846	0.889
H8	-2.700	0.846	0.889
H9	3.677	-0.352	-0.000
H10	2.700	0.846	-0.889
H11	-2.700	0.846	-0.889
H12	-3.677	-0.352	0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6362	1.7560	1.7561	2.7557	2.7558	2.9597	2.9597	3.6960	2.9596	2.9600	3.6962
S2	1.6362		3.0166	3.0167	3.1015	3.1016	2.9559	2.9560	4.1903	2.9558	2.9562	4.1904
S3	1.7560	3.0166		2.8584	1.7967	4.3521	2.4105	4.6090	2.3394	2.4105	4.6094	5.1473
S4	1.7561	3.0167	2.8584		4.3521	1.7966	4.6093	2.4105	5.1473	4.6091	2.4105	2.3394
C5	2.7557	3.1015	1.7967	4.3521		5.4971	1.0884	5.5556	1.0907	1.0884	5.5560	6.4512
C6	2.7558	3.1016	4.3521	1.7966	5.4971		5.5558	1.0884	6.4512	5.5557	1.0884	1.0908
H7	2.9597	2.9559	2.4105	4.6093	1.0884	5.5558		5.3995	1.7835	1.7783	5.6852	6.5493
H8	2.9597	2.9560	4.6090	2.4105	5.5556	1.0884	5.3995		6.5490	5.6847	1.7784	1.7835
H9	3.6960	4.1903	2.3394	5.1473	1.0907	6.4512	1.7835	6.5490		1.7835	6.5494	7.3545
H10	2.9596	2.9558	2.4105	4.6091	1.0884	5.5557	1.7783	5.6847	1.7835		5.3998	6.5492
H11	2.9600	2.9562	4.6094	2.4105	5.5560	1.0884	5.6852	1.7784	6.5494	5.3998		1.7835
H12	3.6962	4.1904	5.1473	2.3394	6.4512	1.0908	6.5493	1.7835	7.3545	6.5492	1.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	101.723	C1	S4	C6	101.726
S2	C1	S3	125.528	S2	C1	S4	125.526
S3	C1	S4	108.945	S3	C5	H7	110.941
S3	C5	H9	105.618	S3	C5	H10	110.940
S4	C6	H8	110.940	S4	C6	H11	110.944
S4	C6	H12	105.617	H7	C5	H9	109.859
H7	C5	H10	109.557	H8	C6	H11	109.562
H8	C6	H12	109.857	H9	C5	H10	109.860
H11	C6	H12	109.856

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

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

using model chemistry: MP2=FULL/6-311G*

States and conformations

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