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	hartrees
Energy at 0K	-147.096665
Energy at 298.15K	-147.102600
HF Energy	-146.666723
Nuclear repulsion energy	153.376122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3195	3077	24.43
2	A	3194	3076	0.03
3	A	3187	3070	6.33
4	A	3187	3070	8.08
5	A	3056	2944	14.67
6	A	3056	2943	30.98
7	A	1511	1455	1.40
8	A	1509	1453	24.80
9	A	1492	1437	20.17
10	A	1491	1436	0.01
11	A	1423	1370	1.51
12	A	1417	1365	0.95
13	A	1068	1028	61.18
14	A	1027	989	0.93
15	A	1026	988	11.84
16	A	1021	983	59.43
17	A	1016	979	0.00
18	A	785	756	173.83
19	A	685	660	1.11
20	A	671	646	0.67
21	A	470	453	2.98
22	A	466	449	4.31
23	A	345	333	4.18
24	A	294	284	1.99
25	A	237	228	4.97
26	A	183	176	1.00
27	A	181	174	0.04
28	A	175	169	0.00
29	A	76	74	6.61
30	A	62	59	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-0.068	-0.000
S2	0.000	1.625	-0.000
S3	1.497	-1.133	-0.000
S4	-1.497	-1.133	0.000
C5	2.871	0.162	0.000
C6	-2.871	0.162	0.000
H7	2.803	0.788	0.901
H8	-2.804	0.788	0.900
H9	3.805	-0.421	-0.000
H10	2.803	0.789	-0.900
H11	-2.803	0.788	-0.900
H12	-3.805	-0.421	-0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6930	1.8369	1.8369	2.8804	2.8805	3.0666	3.0668	3.8213	3.0664	3.0664	3.8212
S2	1.6930		3.1376	3.1376	3.2222	3.2224	3.0611	3.0612	4.3199	3.0605	3.0609	4.3201
S3	1.8369	3.1376		2.9940	1.8881	4.5561	2.4917	4.7956	2.4153	2.4916	4.7952	5.3495
S4	1.8369	3.1376	2.9940		4.5560	1.8881	4.7952	2.4916	5.3495	4.7954	2.4916	2.4152
C5	2.8804	3.2222	1.8881	4.5560		5.7424	1.0988	5.7798	1.1008	1.0988	5.7796	6.7015
C6	2.8805	3.2224	4.5561	1.8881	5.7424		5.7797	1.0988	6.7016	5.7796	1.0988	1.1008
H7	3.0666	3.0611	2.4917	4.7952	1.0988	5.7797		5.6071	1.8100	1.8004	5.8890	6.7782
H8	3.0668	3.0612	4.7956	2.4916	5.7798	1.0988	5.6071		6.7784	5.8889	1.8004	1.8100
H9	3.8213	4.3199	2.4153	5.3495	1.1008	6.7016	1.8100	6.7784		1.8100	6.7781	7.6099
H10	3.0664	3.0605	2.4916	4.7954	1.0988	5.7796	1.8004	5.8889	1.8100		5.6068	6.7781
H11	3.0664	3.0609	4.7952	2.4916	5.7796	1.0988	5.8890	1.8004	6.7781	5.6068		1.8100
H12	3.8212	4.3201	5.3495	2.4152	6.7015	1.1008	6.7782	1.8100	7.6099	6.7781	1.8100

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	101.288	C1	S4	C6	101.292
S2	C1	S3	125.414	S2	C1	S4	125.418
S3	C1	S4	109.168	S3	C5	H7	110.249
S3	C5	H9	104.729	S3	C5	H10	110.244
S4	C6	H8	110.249	S4	C6	H11	110.247
S4	C6	H12	104.724	H7	C5	H9	110.745
H7	C5	H10	110.024	H8	C6	H11	110.022
H8	C6	H12	110.746	H9	C5	H10	110.745
H11	C6	H12	110.746

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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