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	hartrees
Energy at 0K	-49.604894
Energy at 298.15K	-49.611209
HF Energy	-49.604894
Nuclear repulsion energy	112.206546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3349	3056	13.90
2	A	3349	3056	0.01
3	A	3331	3039	6.47
4	A	3330	3039	4.87
5	A	3202	2922	5.16
6	A	3202	2921	42.97
7	A	1603	1462	3.47
8	A	1601	1461	25.43
9	A	1590	1451	28.36
10	A	1590	1451	0.00
11	A	1504	1372	0.17
12	A	1496	1366	12.97
13	A	1135	1035	24.34
14	A	1104	1007	6.51
15	A	1097	1001	4.57
16	A	1090	994	0.00
17	A	1054	961	182.20
18	A	896	817	155.14
19	A	735	671	3.28
20	A	714	651	8.15
21	A	506	462	0.08
22	A	504	460	0.04
23	A	364	332	0.90
24	A	309	282	2.63
25	A	245	224	7.29
26	A	187	171	2.51
27	A	181	166	0.05
28	A	180	165	0.00
29	A	84	77	9.33
30	A	81	74	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	-0.041	-0.000
S2	-0.000	1.646	-0.000
S3	1.474	-1.081	-0.000
S4	-1.474	-1.082	0.000
C5	2.884	0.146	0.000
C6	-2.884	0.146	0.000
H7	2.837	0.758	0.886
H8	-2.837	0.758	0.886
H9	3.776	-0.465	0.000
H10	2.837	0.758	-0.886
H11	-2.837	0.758	-0.886
H12	-3.776	-0.465	0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6878	1.8041	1.8041	2.8905	2.8904	3.0777	3.0778	3.8001	3.0780	3.0778	3.8000
S2	1.6878		3.1007	3.1007	3.2515	3.2514	3.1022	3.1022	4.3268	3.1024	3.1022	4.3266
S3	1.8041	3.1007		2.9482	1.8694	4.5279	2.4548	4.7702	2.3832	2.4548	4.7701	5.2864
S4	1.8041	3.1007	2.9482		4.5280	1.8694	4.7700	2.4548	5.2865	4.7704	2.4548	2.3832
C5	2.8905	3.2515	1.8694	4.5280		5.7688	1.0782	5.8219	1.0812	1.0782	5.8220	6.6887
C6	2.8904	3.2514	4.5279	1.8694	5.7688		5.8218	1.0782	6.6887	5.8222	1.0782	1.0811
H7	3.0777	3.1022	2.4548	4.7700	1.0782	5.8218		5.6739	1.7788	1.7726	5.9444	6.7835
H8	3.0778	3.1022	4.7702	2.4548	5.8219	1.0782	5.6739		6.7836	5.9447	1.7726	1.7787
H9	3.8001	4.3268	2.3832	5.2865	1.0812	6.6887	1.7788	6.7836		1.7788	6.7837	7.5526
H10	3.0780	3.1024	2.4548	4.7704	1.0782	5.8222	1.7726	5.9447	1.7788		5.6743	6.7839
H11	3.0778	3.1022	4.7701	2.4548	5.8220	1.0782	5.9444	1.7726	6.7837	5.6743		1.7787
H12	3.8000	4.3266	5.2864	2.3832	6.6887	1.0811	6.7835	1.7787	7.5526	6.7839	1.7787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	103.770	C1	S4	C6	103.767
S2	C1	S3	125.206	S2	C1	S4	125.203
S3	C1	S4	109.591	S3	C5	H7	109.847
S3	C5	H9	104.558	S3	C5	H10	109.849
S4	C6	H8	109.849	S4	C6	H11	109.849
S4	C6	H12	104.559	H7	C5	H9	110.923
H7	C5	H10	110.579	H8	C6	H11	110.577
H8	C6	H12	110.924	H9	C5	H10	110.924
H11	C6	H12	110.921

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

using model chemistry: HF/CEP-121G

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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Number	Element	Mulliken
1	C	-0.605
2	S	-0.067
3	S	0.376
4	S	0.376
5	C	-0.650
6	C	-0.650
7	H	0.208
8	H	0.208
9	H	0.193
10	H	0.208
11	H	0.208
12	H	0.193

<r²>	224.222
(<r²>)^1/2	14.974

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

using model chemistry: HF/CEP-121G

States and conformations

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