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	hartrees
Energy at 0K	-1295.496751
Energy at 298.15K	-1295.502626
HF Energy	-1295.219661
Nuclear repulsion energy	426.193855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3542	3149	0.55
2	A	3542	3149	0.03
3	A	3523	3131	6.41
4	A	3522	3131	0.00
5	A	3351	2979	3.25
6	A	3351	2979	0.81
7	A	1722	1531	0.64
8	A	1721	1530	10.70
9	A	1710	1520	4.23
10	A	1710	1520	0.00
11	A	1584	1408	0.07
12	A	1580	1404	25.65
13	A	1330	1182	46.57
14	A	1098	976	0.58
15	A	1096	974	9.29
16	A	1096	974	0.00
17	A	1093	971	9.33
18	A	973	865	158.94
19	A	891	792	0.01
20	A	880	782	2.17
21	A	557	495	2.78
22	A	472	419	0.36
23	A	392	348	0.10
24	A	319	284	1.24
25	A	253	225	2.07
26	A	188	167	0.01
27	A	129	115	0.00
28	A	128	114	0.15
29	A	89	79	0.00
30	A	81	72	0.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.031	-0.000
S2	-0.000	1.671	-0.000
S3	-1.454	-1.031	-0.000
S4	1.454	-1.031	0.000
C5	-2.752	0.252	0.000
C6	2.752	0.252	-0.000
H7	-2.700	0.902	-0.896
H8	2.700	0.902	-0.896
H9	-3.727	-0.271	0.001
H10	-2.700	0.902	0.897
H11	2.700	0.902	0.896
H12	3.727	-0.271	-0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6395	1.8009	1.8009	2.7611	2.7611	2.9756	2.9751	3.7393	2.9751	2.9756	3.7393
S2	1.6395		3.0684	3.0684	3.0963	3.0964	2.9472	2.9466	4.2024	2.9464	2.9471	4.2024
S3	1.8009	3.0684		2.9082	1.8255	4.3978	2.4689	4.6687	2.3968	2.4688	4.6692	5.2367
S4	1.8009	3.0684	2.9082		4.3978	1.8255	4.6693	2.4688	5.2367	4.6686	2.4689	2.3969
C5	2.7611	3.0963	1.8255	4.3978		5.5045	1.1087	5.5634	1.1062	1.1087	5.5638	6.5004
C6	2.7611	3.0964	4.3978	1.8255	5.5045		5.5640	1.1087	6.5004	5.5632	1.1087	1.1062
H7	2.9756	2.9472	2.4689	4.6693	1.1087	5.5640		5.4002	1.7985	1.7927	5.6904	6.5948
H8	2.9751	2.9466	4.6687	2.4688	5.5634	1.1087	5.4002		6.5943	5.6892	1.7928	1.7986
H9	3.7393	4.2024	2.3968	5.2367	1.1062	6.5004	1.7985	6.5943		1.7985	6.5946	7.4541
H10	2.9751	2.9464	2.4688	4.6686	1.1087	5.5632	1.7927	5.6892	1.7985		5.3998	6.5942
H11	2.9756	2.9471	4.6692	2.4689	5.5638	1.1087	5.6904	1.7928	6.5946	5.3998		1.7985
H12	3.7393	4.2024	5.2367	2.3969	6.5004	1.1062	6.5948	1.7986	7.4541	6.5942	1.7985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	99.171	C1	S4	C6	99.172
S2	C1	S3	126.156	S2	C1	S4	126.156
S3	C1	S4	107.688	S3	C5	H7	112.265
S3	C5	H9	107.119	S3	C5	H10	112.264
S4	C6	H8	112.263	S4	C6	H11	112.265
S4	C6	H12	107.119	H7	C5	H9	108.590
H7	C5	H10	107.901	H8	C6	H11	107.902
H8	C6	H12	108.592	H9	C5	H10	108.591
H11	C6	H12	108.591

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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