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	hartrees
Energy at 0K	-148.199543
Energy at 298.15K	-148.205308
HF Energy	-148.199543
Nuclear repulsion energy	153.975758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3215	3090	19.58
2	A	3214	3090	0.15
3	A	3207	3082	5.46
4	A	3206	3082	5.97
5	A	3085	2965	4.33
6	A	3084	2965	28.60
7	A	1494	1436	4.10
8	A	1492	1434	31.81
9	A	1478	1421	28.94
10	A	1478	1421	0.14
11	A	1393	1339	1.98
12	A	1387	1333	0.00
13	A	1051	1010	36.33
14	A	1018	979	3.66
15	A	1012	973	17.08
16	A	1002	963	0.00
17	A	998	959	114.42
18	A	782	752	167.37
19	A	677	651	1.62
20	A	662	636	0.24
21	A	469	451	0.53
22	A	459	442	3.13
23	A	339	326	4.51
24	A	292	281	1.68
25	A	230	221	6.73
26	A	177	170	1.54
27	A	142	136	0.00
28	A	139	134	0.00
29	A	81	78	7.84
30	A	62	60	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	-0.057	-0.000
S2	0.000	1.630	-0.000
S3	1.483	-1.120	0.000
S4	-1.483	-1.120	-0.000
C5	2.871	0.149	-0.000
C6	-2.871	0.149	0.000
H7	2.802	0.771	0.894
H8	-2.802	0.770	0.895
H9	3.793	-0.438	0.000
H10	2.802	0.770	-0.894
H11	-2.802	0.771	-0.894
H12	-3.794	-0.437	0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6875	1.8244	1.8245	2.8785	2.8786	3.0552	3.0551	3.8125	3.0551	3.0552	3.8126
S2	1.6875		3.1247	3.1247	3.2307	3.2307	3.0638	3.0641	4.3205	3.0642	3.0637	4.3205
S3	1.8244	3.1247		2.9657	1.8810	4.5352	2.4725	4.7674	2.4093	2.4725	4.7679	5.3203
S4	1.8245	3.1247	2.9657		4.5352	1.8811	4.7679	2.4725	5.3203	4.7676	2.4725	2.4093
C5	2.8785	3.2307	1.8810	4.5352		5.7423	1.0910	5.7762	1.0932	1.0910	5.7763	6.6904
C6	2.8786	3.2307	4.5352	1.8811	5.7423		5.7763	1.0910	6.6904	5.7765	1.0910	1.0932
H7	3.0552	3.0638	2.4725	4.7679	1.0910	5.7763		5.6032	1.8008	1.7881	5.8815	6.7643
H8	3.0551	3.0641	4.7674	2.4725	5.7762	1.0910	5.6032		6.7640	5.8819	1.7881	1.8008
H9	3.8125	4.3205	2.4093	5.3203	1.0932	6.6904	1.8008	6.7640		1.8007	6.7643	7.5869
H10	3.0551	3.0642	2.4725	4.7676	1.0910	5.7765	1.7881	5.8819	1.8007		5.6034	6.7643
H11	3.0552	3.0637	4.7679	2.4725	5.7763	1.0910	5.8815	1.7881	6.7643	5.6034		1.8008
H12	3.8126	4.3205	5.3203	2.4093	6.6904	1.0932	6.7643	1.8008	7.5869	6.7643	1.8008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	101.933	C1	S4	C6	101.931
S2	C1	S3	125.633	S2	C1	S4	125.632
S3	C1	S4	108.735	S3	C5	H7	109.718
S3	C5	H9	105.099	S3	C5	H10	109.716
S4	C6	H8	109.710	S4	C6	H11	109.713
S4	C6	H12	105.100	H7	C5	H9	111.067
H7	C5	H10	110.062	H8	C6	H11	110.061
H8	C6	H12	111.072	H9	C5	H10	111.064
H11	C6	H12	111.070

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

using model chemistry: B3LYP/LANL2DZ

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	-0.577
2	S	0.011
3	S	0.272
4	S	0.272
5	C	-0.773
6	C	-0.773
7	H	0.273
8	H	0.273
9	H	0.239
10	H	0.273
11	H	0.273
12	H	0.239

	x	y	z
x	17.740	0.000	0.001
y	0.000	14.216	0.005
z	0.001	0.005	5.085

<r²>	256.617
(<r²>)^1/2	16.019

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

using model chemistry: B3LYP/LANL2DZ

States and conformations

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