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	hartrees
Energy at 0K	-1312.609226
Energy at 298.15K	-1312.615209
HF Energy	-1312.609226
Nuclear repulsion energy	428.468244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3051	5.16
2	A'	3145	3040	3.97
3	A'	3054	2953	1.70
4	A'	1472	1423	2.55
5	A'	1455	1407	24.26
6	A'	1363	1318	0.10
7	A'	1076	1040	168.69
8	A'	988	955	47.54
9	A'	986	953	10.70
10	A'	714	690	1.45
11	A'	503	486	0.68
12	A'	477	461	3.06
13	A'	302	292	2.47
14	A'	181	175	1.99
15	A'	166	161	0.02
16	A'	88	85	6.26
17	A"	3154	3049	0.00
18	A"	3144	3040	2.84
19	A"	3054	2953	17.40
20	A"	1469	1420	29.66
21	A"	1454	1406	0.00
22	A"	1356	1311	2.15
23	A"	989	957	7.17
24	A"	973	940	0.00
25	A"	813	786	158.40
26	A"	700	677	0.93
27	A"	346	335	5.21
28	A"	237	229	5.02
29	A"	165	159	0.00
30	A"	50	49	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.036	0.000
S2	0.001	1.682	0.000
S3	-0.000	-0.999	1.435
S4	-0.000	-0.999	-1.435
C5	-0.000	0.198	2.804
C6	-0.000	0.198	-2.804
H7	-0.892	0.821	2.768
H8	-0.892	0.821	-2.768
H9	-0.001	-0.411	3.709
H10	0.892	0.820	2.769
H11	0.892	0.820	-2.769
H12	-0.001	-0.411	-3.709

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6464	1.7695	1.7695	2.8089	2.8089	3.0126	3.0126	3.7361	3.0127	3.0127	3.7361
S2	1.6464		3.0413	3.0413	3.1729	3.1729	3.0338	3.0338	4.2592	3.0336	3.0336	4.2592
S3	1.7695	3.0413		2.8707	1.8183	4.4053	2.4256	4.6667	2.3486	2.4256	4.6669	5.1780
S4	1.7695	3.0413	2.8707		4.4053	1.8183	4.6667	2.4256	5.1780	4.6669	2.4256	2.3486
C5	2.8089	3.1729	1.8183	4.4053		5.6085	1.0885	5.6778	1.0909	1.0884	5.6781	6.5419
C6	2.8089	3.1729	4.4053	1.8183	5.6085		5.6778	1.0885	6.5419	5.6781	1.0884	1.0909
H7	3.0126	3.0338	2.4256	4.6667	1.0885	5.6778		5.5367	1.7882	1.7841	5.8174	6.6537
H8	3.0126	3.0338	4.6667	2.4256	5.6778	1.0885	5.5367		6.6537	5.8174	1.7841	1.7882
H9	3.7361	4.2592	2.3486	5.1780	1.0909	6.5419	1.7882	6.6537		1.7883	6.6541	7.4184
H10	3.0127	3.0336	2.4256	4.6669	1.0884	5.6781	1.7841	5.8174	1.7883		5.5375	6.6541
H11	3.0127	3.0336	4.6669	2.4256	5.6781	1.0884	5.8174	1.7841	6.6541	5.5375		1.7883
H12	3.7361	4.2592	5.1780	2.3486	6.5419	1.0909	6.6537	1.7882	7.4184	6.6541	1.7883

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	103.046	C1	S4	C6	103.046
S2	C1	S3	125.791	S2	C1	S4	125.791
S3	C1	S4	108.418	S3	C5	H7	110.600
S3	C5	H9	104.896	S3	C5	H10	110.600
S4	C6	H8	110.600	S4	C6	H11	110.600
S4	C6	H12	104.896	H7	C5	H9	110.273
H7	C5	H10	110.084	H8	C6	H11	110.084
H8	C6	H12	110.273	H9	C5	H10	110.284
H11	C6	H12	110.284

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.458
2	S	-0.094
3	S	0.242
4	S	0.242
5	C	-0.465
6	C	-0.465
7	H	0.175
8	H	0.175
9	H	0.149
10	H	0.175
11	H	0.175
12	H	0.149

	x	y	z
x	7.210	0.003	0.000
y	0.003	15.663	0.000
z	0.000	0.000	18.727

<r²>	337.949
(<r²>)^1/2	18.383

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

using model chemistry: B3LYP/6-311G**

States and conformations

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