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	hartrees
Energy at 0K	-1312.390815
Energy at 298.15K	-1312.396517
HF Energy	-1312.390815
Nuclear repulsion energy	423.257196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3091	3075	5.78
2	A	3090	3074	0.02
3	A	3083	3066	3.55
4	A	3083	3066	2.85
5	A	2989	2973	23.82
6	A	2989	2973	3.08
7	A	1439	1431	1.71
8	A	1436	1429	36.46
9	A	1421	1413	24.74
10	A	1420	1413	0.00
11	A	1325	1318	0.05
12	A	1317	1310	3.53
13	A	1030	1024	128.13
14	A	958	953	4.59
15	A	955	950	50.50
16	A	955	950	4.80
17	A	942	937	0.00
18	A	760	756	148.36
19	A	676	672	1.14
20	A	664	660	1.13
21	A	476	473	0.83
22	A	457	455	3.41
23	A	329	327	6.54
24	A	288	286	1.73
25	A	226	225	5.64
26	A	173	172	1.90
27	A	155	155	0.04
28	A	154	153	0.00
29	A	85	85	5.68
30	A	39	39	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.043	-0.000
S2	-0.000	1.707	-0.000
S3	1.451	-1.013	-0.000
S4	-1.451	-1.013	0.000
C5	2.837	0.198	0.000
C6	-2.837	0.198	0.000
H7	2.798	0.827	0.899
H8	-2.798	0.828	0.899
H9	3.750	-0.415	0.000
H10	2.798	0.827	-0.899
H11	-2.798	0.827	-0.899
H12	-3.750	-0.415	0.001

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6648	1.7947	1.7948	2.8413	2.8413	3.0419	3.0415	3.7777	3.0420	3.0420	3.7777
S2	1.6648		3.0836	3.0837	3.2136	3.2134	3.0680	3.0672	4.3090	3.0680	3.0682	4.3089
S3	1.7947	3.0836		2.9025	1.8407	4.4561	2.4515	4.7169	2.3751	2.4516	4.7173	5.2354
S4	1.7948	3.0837	2.9025		4.4562	1.8408	4.7173	2.4514	5.2354	4.7175	2.4514	2.3752
C5	2.8413	3.2136	1.8407	4.4562		5.6741	1.0979	5.7404	1.0998	1.0979	5.7412	6.6155
C6	2.8413	3.2134	4.4561	1.8408	5.6741		5.7409	1.0979	6.6154	5.7411	1.0979	1.0998
H7	3.0419	3.0680	2.4515	4.7173	1.0979	5.7409		5.5955	1.8049	1.7979	5.8781	6.7250
H8	3.0415	3.0672	4.7169	2.4514	5.7404	1.0979	5.5955		6.7246	5.8774	1.7979	1.8049
H9	3.7777	4.3090	2.3751	5.2354	1.0998	6.6154	1.8049	6.7246		1.8049	6.7253	7.4997
H10	3.0420	3.0680	2.4516	4.7175	1.0979	5.7411	1.7979	5.8774	1.8049		5.5966	6.7255
H11	3.0420	3.0682	4.7173	2.4514	5.7412	1.0979	5.8781	1.7979	6.7253	5.5966		1.8049
H12	3.7777	4.3089	5.2354	2.3752	6.6155	1.0998	6.7250	1.8049	7.4997	6.7255	1.8049

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	102.801	C1	S4	C6	102.794
S2	C1	S3	126.041	S2	C1	S4	126.040
S3	C1	S4	107.920	S3	C5	H7	110.510
S3	C5	H9	104.934	S3	C5	H10	110.518
S4	C6	H8	110.505	S4	C6	H11	110.506
S4	C6	H12	104.941	H7	C5	H9	110.430
H7	C5	H10	109.929	H8	C6	H11	109.933
H8	C6	H12	110.431	H9	C5	H10	110.427
H11	C6	H12	110.433

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

using model chemistry: BLYP/6-31+G**

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	-0.536
2	S	0.008
3	S	0.219
4	S	0.219
5	C	-0.550
6	C	-0.550
7	H	0.209
8	H	0.209
9	H	0.177
10	H	0.209
11	H	0.209
12	H	0.177

	x	y	z
x	20.393	-0.007	-0.001
y	-0.007	16.985	0.001
z	-0.001	0.001	9.532

<r²>	345.302
(<r²>)^1/2	18.582

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

using model chemistry: BLYP/6-31+G**

States and conformations

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