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	hartrees
Energy at 0K	-1312.000534
Energy at 298.15K	-1312.006660
HF Energy	-1311.713574
Nuclear repulsion energy	430.055374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3183	3183	4.96
2	A	3182	3182	0.02
3	A	3173	3173	3.78
4	A	3172	3172	3.77
5	A	3077	3077	2.15
6	A	3077	3077	17.00
7	A	1485	1485	1.70
8	A	1483	1483	28.59
9	A	1466	1466	22.59
10	A	1465	1465	0.01
11	A	1383	1383	0.07
12	A	1375	1375	2.61
13	A	1095	1095	165.01
14	A	1000	1000	10.13
15	A	999	999	8.00
16	A	998	998	37.77
17	A	988	988	0.00
18	A	837	837	163.73
19	A	736	736	1.72
20	A	723	723	0.94
21	A	510	510	0.85
22	A	480	480	3.16
23	A	353	353	4.67
24	A	308	308	2.41
25	A	245	245	4.41
26	A	187	187	1.84
27	A	184	184	0.02
28	A	182	182	0.00
29	A	88	88	6.04
30	A	52	52	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.024	0.035	-0.000
S2	0.003	1.707	0.001
S3	-1.412	-1.000	0.002
S4	1.449	-0.998	-0.002
C5	-2.850	0.176	-0.002
C6	2.795	0.176	-0.004
H7	-2.471	1.158	-0.028
H8	2.397	1.186	-0.033
H9	-3.430	-0.052	-0.875
H10	-3.409	-0.038	0.889
H11	3.358	0.056	0.905
H12	3.395	0.015	-0.843

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6725	1.7314	1.7996	2.8288	2.8232	2.6925	2.6812	3.5171	3.5000	3.5017	3.5216
S2	1.6725		3.0549	3.0678	3.2379	3.1847	2.5348	2.4502	3.9557	3.9336	3.8471	3.8835
S3	1.7314	3.0549		2.8613	1.8567	4.3689	2.4039	4.3922	2.3953	2.3869	4.9689	4.9853
S4	1.7996	3.0678	2.8613		4.4560	1.7866	4.4742	2.3818	5.0457	5.0311	2.3624	2.3496
C5	2.8288	3.2379	1.8567	4.4560		5.6450	1.0531	5.3431	1.0726	1.0735	6.2750	6.3029
C6	2.8232	3.1847	4.3689	1.7866	5.6450		5.3575	1.0866	6.2900	6.2715	1.0754	1.0442
H7	2.6925	2.5348	2.4039	4.4742	1.0531	5.3575		4.8683	1.7609	1.7747	6.0056	6.0319
H8	2.6812	2.4502	4.3922	2.3818	5.3431	1.0866	4.8683		6.0161	6.0045	1.7554	1.7391
H9	3.5171	3.9557	2.3953	5.0457	1.0726	6.2900	1.7609	6.0161		1.7644	7.0184	6.8250
H10	3.5000	3.9336	2.3869	5.0311	1.0735	6.2715	1.7747	6.0045	1.7644		6.7675	7.0207
H11	3.5017	3.8471	4.9689	2.3624	6.2750	1.0754	6.0056	1.7554	7.0184	6.7675		1.7491
H12	3.5216	3.8835	4.9853	2.3496	6.3029	1.0442	6.0319	1.7391	6.8250	7.0207	1.7491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	104.014	C1	S4	C6	103.859
S2	C1	S3	127.646	S2	C1	S4	124.111
S3	C1	S4	108.243	S3	C5	H7	108.214
S3	C5	H9	106.629	S3	C5	H10	105.981
S4	C6	H8	109.567	S4	C6	H11	108.711
S4	C6	H12	109.387	H7	C5	H9	111.862
H7	C5	H10	113.134	H8	C6	H11	108.561
H8	C6	H12	109.387	H9	C5	H10	110.604
H11	C6	H12	111.205

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

using model chemistry: B2PLYP/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	-0.425
2	S	-0.113
3	S	0.232
4	S	0.232
5	C	-0.446
6	C	-0.446
7	H	0.170
8	H	0.170
9	H	0.143
10	H	0.170
11	H	0.170
12	H	0.143

	x	y	z
x	18.310	0.000	0.002
y	0.000	15.603	0.000
z	0.002	0.000	7.127

<r²>	335.199
(<r²>)^1/2	18.308

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

using model chemistry: B2PLYP/6-311G**

States and conformations

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