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	hartrees
Energy at 0K	-1310.977965
Energy at 298.15K	-1310.984304
HF Energy	-1309.710248
Nuclear repulsion energy	433.113183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3213	3048	4.05
2	A	3212	3047	0.00
3	A	3206	3041	2.76
4	A	3205	3041	4.33
5	A	3100	2941	8.35
6	A	3100	2940	7.61
7	A	1487	1410	1.07
8	A	1484	1408	27.57
9	A	1461	1386	0.00
10	A	1461	1386	20.66
11	A	1399	1327	0.08
12	A	1390	1319	1.21
13	A	1151	1092	172.12
14	A	1013	961	10.52
15	A	1006	954	15.25
16	A	1003	952	13.25
17	A	1001	949	0.00
18	A	867	822	175.57
19	A	775	735	1.77
20	A	763	724	2.53
21	A	529	502	2.61
22	A	487	462	4.33
23	A	367	348	4.51
24	A	317	301	2.54
25	A	257	244	3.28
26	A	213	202	0.04
27	A	213	202	0.00
28	A	197	187	1.51
29	A	87	82	5.46
30	A	49	47	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.019	-0.000
S2	0.000	1.655	-0.000
S3	1.430	-1.000	0.000
S4	-1.430	-1.000	-0.000
C5	2.742	0.225	-0.000
C6	-2.742	0.225	0.000
H7	2.689	0.851	-0.890
H8	-2.689	0.851	0.890
H9	2.689	0.851	0.890
H10	3.673	-0.345	-0.000
H11	-2.689	0.851	-0.890
H12	-3.673	-0.345	0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6352	1.7566	1.7566	2.7496	2.7496	2.9519	2.9519	2.9520	3.6913	2.9519	3.6913
S2	1.6352		3.0156	3.0156	3.0923	3.0923	2.9444	2.9444	2.9444	4.1823	2.9444	4.1823
S3	1.7566	3.0156		2.8608	1.7946	4.3484	2.4087	4.6029	2.4087	2.3365	4.6029	5.1455
S4	1.7566	3.0156	2.8608		4.3484	1.7947	4.6028	2.4087	4.6030	5.1455	2.4087	2.3365
C5	2.7496	3.0923	1.7946	4.3484		5.4838	1.0895	5.5388	1.0895	1.0919	5.5388	6.4404
C6	2.7496	3.0923	4.3484	1.7947	5.4838		5.5387	1.0895	5.5388	6.4404	1.0895	1.0919
H7	2.9519	2.9444	2.4087	4.6028	1.0895	5.5387		5.6650	1.7807	1.7865	5.3778	6.5344
H8	2.9519	2.9444	4.6029	2.4087	5.5388	1.0895	5.6650		5.3779	6.5345	1.7807	1.7865
H9	2.9520	2.9444	2.4087	4.6030	1.0895	5.5388	1.7807	5.3779		1.7865	5.6650	6.5345
H10	3.6913	4.1823	2.3365	5.1455	1.0919	6.4404	1.7865	6.5345	1.7865		6.5345	7.3465
H11	2.9519	2.9444	4.6029	2.4087	5.5388	1.0895	5.3778	1.7807	5.6650	6.5345		1.7865
H12	3.6913	4.1823	5.1455	2.3365	6.4404	1.0919	6.5344	1.7865	6.5345	7.3465	1.7865

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	101.472	C1	S4	C6	101.472
S2	C1	S3	125.480	S2	C1	S4	125.481
S3	C1	S4	109.038	S3	C5	H7	110.884
S3	C5	H9	110.885	S3	C5	H10	105.482
S4	C6	H8	110.884	S4	C6	H11	110.884
S4	C6	H12	105.482	H7	C5	H9	109.611
H7	C5	H10	109.956	H8	C6	H11	109.611
H8	C6	H12	109.956	H9	C5	H10	109.956
H11	C6	H12	109.956

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

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

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