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	hartrees
Energy at 0K	-1308.719347
Energy at 298.15K	-1308.725262
HF Energy	-1308.719347
Nuclear repulsion energy	436.735370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3105	3055	0.02
2	A	3104	3054	0.86
3	A	3096	3047	0.03
4	A	3095	3045	0.00
5	A	2989	2941	3.68
6	A	2989	2941	0.16
7	A	1378	1356	2.38
8	A	1373	1351	42.16
9	A	1359	1337	29.52
10	A	1359	1337	0.00
11	A	1272	1252	0.03
12	A	1261	1240	1.34
13	A	1108	1090	140.49
14	A	941	926	48.53
15	A	930	915	9.84
16	A	929	914	7.92
17	A	913	899	0.00
18	A	851	837	81.50
19	A	755	743	2.05
20	A	748	736	2.26
21	A	521	512	0.37
22	A	474	466	0.84
23	A	341	336	3.98
24	A	306	301	0.86
25	A	245	241	8.08
26	A	183	180	2.12
27	A	134	132	0.39
28	A	130	128	0.00
29	A	100	99	5.55
30	A	67	66	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.009	-0.000
S2	0.000	1.644	0.000
S3	-1.414	-0.998	0.000
S4	1.414	-0.998	-0.000
C5	-2.704	0.230	0.000
C6	2.704	0.230	-0.000
H7	-2.623	0.865	-0.895
H8	2.623	0.865	-0.896
H9	-3.654	-0.325	0.001
H10	-2.623	0.865	0.896
H11	2.623	0.865	0.895
H12	3.654	-0.325	-0.001

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6350	1.7365	1.7365	2.7127	2.7126	2.9011	2.9007	3.6691	2.9007	2.9011	3.6691
S2	1.6350		2.9972	2.9972	3.0510	3.0510	2.8795	2.8790	4.1508	2.8789	2.8794	4.1508
S3	1.7365	2.9972		2.8288	1.7809	4.2974	2.3948	4.5359	2.3383	2.3948	4.5361	5.1127
S4	1.7365	2.9972	2.8288		4.2974	1.7809	4.5362	2.3948	5.1127	4.5358	2.3948	2.3383
C5	2.7127	3.0510	1.7809	4.2974		5.4072	1.1006	5.4385	1.1007	1.1006	5.4388	6.3817
C6	2.7126	3.0510	4.2974	1.7809	5.4072		5.4389	1.1006	6.3817	5.4384	1.1006	1.1007
H7	2.9011	2.8795	2.3948	4.5362	1.1006	5.4389		5.2463	1.8114	1.7910	5.5440	6.4514
H8	2.9007	2.8790	4.5359	2.3948	5.4385	1.1006	5.2463		6.4512	5.5431	1.7910	1.8114
H9	3.6691	4.1508	2.3383	5.1127	1.1007	6.3817	1.8114	6.4512		1.8114	6.4513	7.3076
H10	2.9007	2.8789	2.3948	4.5358	1.1006	5.4384	1.7910	5.5431	1.8114		5.2462	6.4511
H11	2.9011	2.8794	4.5361	2.3948	5.4388	1.1006	5.5440	1.7910	6.4513	5.2462		1.8114
H12	3.6691	4.1508	5.1127	2.3383	6.3817	1.1007	6.4514	1.8114	7.3076	6.4511	1.8114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	100.915	C1	S4	C6	100.915
S2	C1	S3	125.463	S2	C1	S4	125.463
S3	C1	S4	109.073	S3	C5	H7	110.176
S3	C5	H9	106.059	S3	C5	H10	110.177
S4	C6	H8	110.176	S4	C6	H11	110.176
S4	C6	H12	106.059	H7	C5	H9	110.748
H7	C5	H10	108.914	H8	C6	H11	108.914
H8	C6	H12	110.748	H9	C5	H10	110.748
H11	C6	H12	110.748

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

using model chemistry: LSDA/6-31G(2df,p)

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	0.213
2	S	-0.374
3	S	-0.036
4	S	-0.036
5	C	-0.481
6	C	-0.481
7	H	0.207
8	H	0.207
9	H	0.184
10	H	0.207
11	H	0.207
12	H	0.184

<r²>	322.626
(<r²>)^1/2	17.962

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

using model chemistry: LSDA/6-31G(2df,p)

States and conformations

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