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	hartrees
Energy at 0K	-1312.631917
Energy at 298.15K	-1312.637889
HF Energy	-1312.631917
Nuclear repulsion energy	432.921381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3175	3048	4.00
2	A	3173	3047	0.02
3	A	3170	3044	3.10
4	A	3170	3043	3.60
5	A	3069	2947	2.08
6	A	3069	2947	14.06
7	A	1460	1402	3.18
8	A	1457	1399	30.74
9	A	1441	1383	26.09
10	A	1440	1382	1.54
11	A	1354	1300	0.26
12	A	1345	1291	0.20
13	A	1111	1067	189.80
14	A	983	943	14.97
15	A	982	943	16.68
16	A	981	942	19.15
17	A	969	930	0.06
18	A	849	815	150.15
19	A	741	712	2.01
20	A	730	701	0.82
21	A	519	498	0.70
22	A	482	462	3.01
23	A	350	336	4.03
24	A	304	292	2.11
25	A	231	222	5.53
26	A	174	167	1.92
27	A	145	139	0.13
28	A	141	135	0.08
29	A	91	87	6.20
30	A	60	58	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.023	0.003
S2	0.000	1.661	0.003
S3	1.425	-0.996	0.002
S4	-1.425	-0.996	0.002
C5	2.756	0.213	-0.006
C6	-2.756	0.213	-0.007
H7	2.729	0.818	0.897
H8	-2.729	0.818	0.897
H9	3.675	-0.370	-0.043
H10	2.679	0.854	-0.882
H11	-2.679	0.854	-0.882
H12	-3.675	-0.370	-0.043

	C1	S2	S3	S4	C5	C6	H7	H8	H9	H10	H11	H12
C1		1.6374	1.7520	1.7520	2.7625	2.7625	2.9796	2.9795	3.6963	2.9413	2.9414	3.6963
S2	1.6374		3.0148	3.0148	3.1129	3.1129	2.9928	2.9926	4.1991	2.9344	2.9347	4.1992
S3	1.7520	3.0148		2.8496	1.7987	4.3522	2.4071	4.6203	2.3361	2.4039	4.5877	5.1383
S4	1.7520	3.0148	2.8496		4.3522	1.7987	4.6202	2.4071	5.1383	4.5878	2.4039	2.3361
C5	2.7625	3.1129	1.7987	4.3522		5.5119	1.0876	5.5916	1.0893	1.0877	5.5424	6.4575
C6	2.7625	3.1129	4.3522	1.7987	5.5119		5.5917	1.0876	6.4575	5.5423	1.0877	1.0893
H7	2.9796	2.9928	2.4071	4.6202	1.0876	5.5917		5.4579	1.7863	1.7801	5.6934	6.5808
H8	2.9795	2.9926	4.6203	2.4071	5.5916	1.0876	5.4579		6.5808	5.6931	1.7801	1.7863
H9	3.6963	4.1991	2.3361	5.1383	1.0893	6.4575	1.7863	6.5808		1.7875	6.5252	7.3501
H10	2.9413	2.9344	2.4039	4.5878	1.0877	5.5423	1.7801	5.6931	1.7875		5.3582	6.5252
H11	2.9414	2.9347	4.5877	2.4039	5.5424	1.0877	5.6934	1.7801	6.5252	5.3582		1.7875
H12	3.6963	4.1992	5.1383	2.3361	6.4575	1.0893	6.5808	1.7863	7.3501	6.5252	1.7875

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	S3	C5	102.154	C1	S4	C6	102.154
S2	C1	S3	125.585	S2	C1	S4	125.585
S3	C1	S4	108.829	S3	C5	H7	110.590
S3	C5	H9	105.322	S3	C5	H10	110.346
S4	C6	H8	110.590	S4	C6	H11	110.346
S4	C6	H12	105.322	H7	C5	H9	110.283
H7	C5	H10	109.838	H8	C6	H11	109.838
H8	C6	H12	110.283	H9	C5	H10	110.386
H11	C6	H12	110.386

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

using model chemistry: B1B95/6-311G**

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	-0.479
2	S	-0.085
3	S	0.255
4	S	0.255
5	C	-0.524
6	C	-0.524
7	H	0.192
8	H	0.192
9	H	0.166
10	H	0.193
11	H	0.193
12	H	0.166

	x	y	z	Total
	0.000	-0.338	-0.021	0.338
CHELPG
AIM
ESP

	x	y	z
x	18.301	0.000	-0.000
y	0.000	15.354	0.012
z	-0.000	0.012	7.167

<r²>	330.249
(<r²>)^1/2	18.173

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

using model chemistry: B1B95/6-311G**

States and conformations

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