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	hartrees
Energy at 0K	-1309.457638
Energy at 298.15K	-1309.463931
HF Energy	-1309.457638
Nuclear repulsion energy	421.246162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3382	3053	2.00
2	A	3381	3053	0.00
3	A	3364	3037	1.08
4	A	3364	3037	1.27
5	A	3253	2937	3.05
6	A	3253	2937	24.94
7	A	1625	1467	5.17
8	A	1623	1466	29.13
9	A	1615	1458	31.11
10	A	1615	1458	0.09
11	A	1523	1375	0.07
12	A	1516	1368	9.24
13	A	1140	1030	16.47
14	A	1113	1005	4.67
15	A	1103	996	5.97
16	A	1096	989	0.00
17	A	1058	955	193.67
18	A	885	799	148.76
19	A	722	652	3.31
20	A	700	632	6.88
21	A	516	466	0.01
22	A	508	459	0.02
23	A	365	330	1.06
24	A	312	282	2.92
25	A	250	226	7.79
26	A	190	172	2.24
27	A	185	167	0.07
28	A	184	166	0.00
29	A	84	76	8.78
30	A	80	72	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	0.021	-0.000
S2	-0.000	1.696	-0.000
S3	-1.468	-1.014	-0.000
S4	1.468	-1.014	-0.000
C5	-2.871	0.219	0.000
C6	2.871	0.219	0.000
H7	-2.819	0.830	-0.884
H8	2.819	0.830	-0.884
H9	-3.766	-0.382	0.000
H10	-2.819	0.830	0.884
H11	2.819	0.830	0.884
H12	3.766	-0.382	0.000

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6753	1.7967	1.7967	2.8774	2.8776	3.0632	3.0632	3.7874	3.0629	3.0632	3.7875
S2	1.6753		3.0828	3.0829	3.2282	3.2285	3.0788	3.0788	4.3011	3.0785	3.0790	4.3014
S3	1.7967	3.0828		2.9367	1.8678	4.5111	2.4511	4.7503	2.3831	2.4510	4.7502	5.2724
S4	1.7967	3.0829	2.9367		4.5110	1.8678	4.7503	2.4511	5.2723	4.7500	2.4511	2.3831
C5	2.8774	3.2282	1.8678	4.5110		5.7414	1.0758	5.7903	1.0784	1.0758	5.7902	6.6638
C6	2.8776	3.2285	4.5111	1.8678	5.7414		5.7905	1.0758	6.6638	5.7900	1.0758	1.0783
H7	3.0632	3.0788	2.4511	4.7503	1.0758	5.7905		5.6382	1.7739	1.7683	5.9089	6.7538
H8	3.0632	3.0788	4.7503	2.4511	5.7903	1.0758	5.6382		6.7537	5.9086	1.7683	1.7739
H9	3.7874	4.3011	2.3831	5.2723	1.0784	6.6638	1.7739	6.7537		1.7739	6.7535	7.5319
H10	3.0629	3.0785	2.4510	4.7500	1.0758	5.7900	1.7683	5.9086	1.7739		5.6377	6.7534
H11	3.0632	3.0790	4.7502	2.4511	5.7902	1.0758	5.9089	1.7683	6.7535	5.6377		1.7739
H12	3.7875	4.3014	5.2724	2.3831	6.6638	1.0783	6.7538	1.7739	7.5319	6.7534	1.7739

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	103.466	C1	S4	C6	103.471
S2	C1	S3	125.189	S2	C1	S4	125.192
S3	C1	S4	109.619	S3	C5	H7	109.811
S3	C5	H9	104.779	S3	C5	H10	109.808
S4	C6	H8	109.809	S4	C6	H11	109.805
S4	C6	H12	104.779	H7	C5	H9	110.875
H7	C5	H10	110.545	H8	C6	H11	110.545
H8	C6	H12	110.876	H9	C5	H10	110.874
H11	C6	H12	110.877

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

using model chemistry: HF/6-31G

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	-0.753
2	S	-0.010
3	S	0.410
4	S	0.410
5	C	-0.690
6	C	-0.690
7	H	0.227
8	H	0.227
9	H	0.209
10	H	0.227
11	H	0.227
12	H	0.209

	x	y	z	Total
	0.000	-0.035	0.001	0.035
CHELPG	0.002	-0.231	0.002	0.231
AIM
ESP

<r²>	349.838
(<r²>)^1/2	18.704

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

using model chemistry: HF/6-31G

States and conformations

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