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	hartrees
Energy at 0K	-1310.472908
Energy at 298.15K	-1310.479253
HF Energy	-1309.613534
Nuclear repulsion energy	431.975013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3236	3037	3.18
2	A	3235	3036	0.00
3	A	3227	3028	2.30
4	A	3226	3027	3.66
5	A	3130	2937	1.47
6	A	3130	2937	12.11
7	A	1532	1437	2.14
8	A	1529	1435	32.03
9	A	1514	1421	23.28
10	A	1514	1421	0.00
11	A	1443	1354	0.01
12	A	1436	1347	0.37
13	A	1162	1090	183.53
14	A	1040	976	28.48
15	A	1040	976	10.60
16	A	1039	975	6.66
17	A	1028	965	0.00
18	A	892	837	155.35
19	A	779	731	1.29
20	A	763	716	1.74
21	A	536	503	1.29
22	A	500	469	1.10
23	A	369	346	2.94
24	A	319	300	2.58
25	A	261	245	4.70
26	A	206	194	0.01
27	A	203	191	0.00
28	A	199	186	1.40
29	A	89	84	5.49
30	A	56	52	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.013	-0.001
S2	-0.000	1.647	-0.000
S3	-1.431	-1.003	-0.000
S4	1.431	-1.003	0.000
C5	-2.737	0.238	0.001
C6	2.737	0.238	0.000
H7	-2.679	0.864	-0.891
H8	2.679	0.863	-0.892
H9	-3.672	-0.327	0.001
H10	-2.678	0.863	0.892
H11	2.679	0.864	0.891
H12	3.672	-0.327	0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6344	1.7546	1.7546	2.7465	2.7466	2.9485	2.9483	3.6873	2.9483	2.9485	3.6873
S2	1.6344		3.0118	3.0119	3.0787	3.0787	2.9300	2.9300	4.1688	2.9297	2.9298	4.1689
S3	1.7546	3.0118		2.8611	1.8023	4.3488	2.4158	4.6004	2.3407	2.4158	4.6005	5.1467
S4	1.7546	3.0119	2.8611		4.3488	1.8023	4.6008	2.4158	5.1467	4.6001	2.4158	2.3407
C5	2.7465	3.0787	1.8023	4.3488		5.4746	1.0904	5.5245	1.0920	1.0904	5.5241	6.4338
C6	2.7466	3.0787	4.3488	1.8023	5.4746		5.5247	1.0904	6.4338	5.5239	1.0904	1.0920
H7	2.9485	2.9300	2.4158	4.6008	1.0904	5.5247		5.3578	1.7883	1.7828	5.6462	6.5225
H8	2.9483	2.9300	4.6004	2.4158	5.5245	1.0904	5.3578		6.5222	5.6460	1.7828	1.7883
H9	3.6873	4.1688	2.3407	5.1467	1.0920	6.4338	1.7883	6.5222		1.7883	6.5218	7.3432
H10	2.9483	2.9297	2.4158	4.6001	1.0904	5.5239	1.7828	5.6460	1.7883		5.3567	6.5216
H11	2.9485	2.9298	4.6005	2.4158	5.5241	1.0904	5.6462	1.7828	6.5218	5.3567		1.7883
H12	3.6873	4.1689	5.1467	2.3407	6.4338	1.0920	6.5225	1.7883	7.3432	6.5216	1.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	101.088	C1	S4	C6	101.089
S2	C1	S3	125.381	S2	C1	S4	125.383
S3	C1	S4	109.236	S3	C5	H7	110.849
S3	C5	H9	105.289	S3	C5	H10	110.848
S4	C6	H8	110.846	S4	C6	H11	110.848
S4	C6	H12	105.289	H7	C5	H9	110.054
H7	C5	H10	109.674	H8	C6	H11	109.675
H8	C6	H12	110.055	H9	C5	H10	110.054
H11	C6	H12	110.055

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

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

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