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	hartrees
Energy at 0K	-1310.966088
Energy at 298.15K	-1310.956671
HF Energy	-1309.614476
Nuclear repulsion energy	431.254614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3358	3164	5.13
2	A	3358	3163	0.03
3	A	3335	3142	5.11
4	A	3335	3142	3.26
5	A	3245	3057	2.56
6	A	3244	3057	31.23
7	A	1618	1524	3.47
8	A	1616	1523	25.48
9	A	1606	1513	18.95
10	A	1606	1513	0.02
11	A	1523	1435	1.03
12	A	1515	1428	9.54
13	A	1176	1108	182.49
14	A	1102	1038	8.41
15	A	1091	1028	3.60
16	A	1088	1025	107.29
17	A	1081	1019	0.00
18	A	934	880	156.47
19	A	792	746	2.21
20	A	772	728	0.18
21	A	551	519	0.01
22	A	534	503	0.02
23	A	379	357	1.37
24	A	326	307	3.42
25	A	264	248	6.15
26	A	215	203	0.06
27	A	214	201	0.00
28	A	200	188	1.99
29	A	92	87	6.60
30	A	70	66	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	103.977	C1	S4	C6	103.980
S2	C1	S3	125.463	S2	C1	S4	125.465
S3	C1	S4	109.073	S3	C5	H7	110.932
S3	C5	H9	105.138	S3	C5	H10	110.931
S4	C6	H8	110.930	S4	C6	H11	110.931
S4	C6	H12	105.138	H7	C5	H9	109.901
H7	C5	H10	109.940	H8	C6	H11	109.940
H8	C6	H12	109.901	H9	C5	H10	109.901
H11	C6	H12	109.902

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

using model chemistry: G3MP2

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: G3MP2

States and conformations

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