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	hartrees
Energy at 0K	-1310.536954
Energy at 298.15K
HF Energy	-1309.625967
Nuclear repulsion energy	432.053011

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3266	3043	5.00
2	A	3265	3042	0.00
3	A	3259	3036	3.26
4	A	3258	3036	5.11
5	A	3155	2939	1.84
6	A	3155	2939	18.70
7	A	1521	1417	1.41
8	A	1518	1414	29.98
9	A	1490	1388	0.00
10	A	1490	1388	20.69
11	A	1438	1339	0.06
12	A	1430	1333	2.20
13	A	1154	1075	192.66
14	A	1032	961	8.31
15	A	1031	961	26.51
16	A	1017	947	2.87
17	A	1006	938	0.00
18	A	886	825	160.14
19	A	776	723	1.07
20	A	761	709	2.10
21	A	535	498	1.28
22	A	473	441	3.53
23	A	368	343	2.86
24	A	318	296	2.78
25	A	255	237	3.51
26	A	195	182	1.42
27	A	166	155	0.00
28	A	162	151	0.22
29	A	76	71	5.17
30	A	7i	7i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.015	-0.000
S2	-0.000	1.651	-0.000
S3	-1.430	-1.002	-0.000
S4	1.430	-1.002	0.000
C5	-2.740	0.234	0.001
C6	2.740	0.234	-0.000
H7	-2.688	0.856	-0.887
H8	2.688	0.855	-0.888
H9	-3.664	-0.337	0.001
H10	-2.687	0.855	0.888
H11	2.688	0.856	0.887
H12	3.664	-0.337	0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6359	1.7548	1.7548	2.7486	2.7486	2.9524	2.9522	3.6807	2.9523	2.9525	3.6808
S2	1.6359		3.0140	3.0141	3.0849	3.0849	2.9400	2.9402	4.1686	2.9399	2.9399	4.1687
S3	1.7548	3.0140		2.8593	1.8012	4.3489	2.4126	4.6032	2.3311	2.4126	4.6033	5.1367
S4	1.7548	3.0141	2.8593		4.3489	1.8012	4.6036	2.4126	5.1367	4.6029	2.4126	2.3311
C5	2.7486	3.0849	1.8012	4.3489		5.4799	1.0847	5.5348	1.0861	1.0847	5.5345	6.4292
C6	2.7486	3.0849	4.3489	1.8012	5.4799		5.5349	1.0847	6.4292	5.5344	1.0847	1.0861
H7	2.9524	2.9400	2.4126	4.6036	1.0847	5.5349		5.3756	1.7784	1.7745	5.6606	6.5234
H8	2.9522	2.9402	4.6032	2.4126	5.5348	1.0847	5.3756		6.5232	5.6605	1.7745	1.7784
H9	3.6807	4.1686	2.3311	5.1367	1.0861	6.4292	1.7784	6.5232		1.7784	6.5230	7.3277
H10	2.9523	2.9399	2.4126	4.6029	1.0847	5.5344	1.7745	5.6605	1.7784		5.3748	6.5228
H11	2.9525	2.9399	4.6033	2.4126	5.5345	1.0847	5.6606	1.7745	6.5230	5.3748		1.7784
H12	3.6808	4.1687	5.1367	2.3311	6.4292	1.0861	6.5234	1.7784	7.3277	6.5228	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	101.233	C1	S4	C6	101.234
S2	C1	S3	125.440	S2	C1	S4	125.441
S3	C1	S4	109.119	S3	C5	H7	110.993
S3	C5	H9	104.961	S3	C5	H10	110.992
S4	C6	H8	110.990	S4	C6	H11	110.992
S4	C6	H12	104.961	H7	C5	H9	110.020
H7	C5	H10	109.765	H8	C6	H11	109.766
H8	C6	H12	110.021	H9	C5	H10	110.021
H11	C6	H12	110.022

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

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

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/6-31+G**

States and conformations

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