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	hartrees
Energy at 0K	-269.666307
Energy at 298.15K	-269.675887
HF Energy	-269.666307
Nuclear repulsion energy	197.552004

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3119	3017	5.22
2	A	3057	2958	66.67
3	A	3001	2903	51.41
4	A	2992	2895	22.63
5	A	1514	1464	6.89
6	A	1502	1453	0.08
7	A	1488	1439	4.22
8	A	1466	1419	0.00
9	A	1334	1290	0.27
10	A	1210	1170	24.13
11	A	1175	1137	9.30
12	A	1129	1093	82.82
13	A	922	892	2.81
14	A	597	578	5.26
15	A	319	309	4.13
16	A	152	147	0.20
17	A	95	92	2.58
18	B	3118	3017	38.46
19	B	3056	2957	5.47
20	B	3048	2949	41.22
21	B	2993	2896	107.42
22	B	1507	1458	8.18
23	B	1488	1439	4.30
24	B	1478	1430	6.26
25	B	1426	1379	9.79
26	B	1252	1212	15.63
27	B	1174	1136	0.32
28	B	1154	1116	146.35
29	B	1055	1021	222.61
30	B	933	902	77.90
31	B	451	436	5.47
32	B	210	203	14.62
33	B	134	130	2.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.919
H2	-0.722	0.531	1.548
H3	0.722	-0.531	1.548
O4	0.758	0.902	0.164
O5	-0.758	-0.902	0.164
C6	0.000	1.854	-0.560
C7	0.000	-1.854	-0.560
H8	0.706	2.521	-1.050
H9	-0.706	-2.521	-1.050
H10	-0.633	1.385	-1.317
H11	-0.638	2.444	0.109
H12	0.633	-1.385	-1.317
H13	0.638	-2.444	0.109

	C1	H2	H3	O4	O5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.0956	1.0956	1.3992	1.3992	2.3719	2.3719	3.2761	3.2761	2.7049	2.6522	2.7049	2.6522
H2	1.0956		1.7937	2.0602	1.9928	2.5919	3.2648	3.5710	4.0089	2.9909	2.3948	3.7036	3.5738
H3	1.0956	1.7937		1.9928	2.0602	3.2648	2.5919	4.0089	3.5710	3.7036	3.5738	2.9909	2.3948
O4	1.3992	2.0602	1.9928		2.3570	1.4165	2.9494	2.0249	3.9167	2.0886	2.0803	2.7277	3.3485
O5	1.3992	1.9928	2.0602	2.3570		2.9494	1.4165	3.9167	2.0249	2.7277	3.3485	2.0886	2.0803
C6	2.3719	2.5919	3.2648	1.4165	2.9494		3.7086	1.0878	4.4593	1.0926	1.0964	3.3858	4.3963
C7	2.3719	3.2648	2.5919	2.9494	1.4165	3.7086		4.4593	1.0878	3.3858	4.3963	1.0926	1.0964
H8	3.2761	3.5710	4.0089	2.0249	3.9167	1.0878	4.4593		5.2368	1.7763	1.7763	3.9158	5.0991
H9	3.2761	4.0089	3.5710	3.9167	2.0249	4.4593	1.0878	5.2368		3.9158	5.0991	1.7763	1.7763
H10	2.7049	2.9909	3.7036	2.0886	2.7277	1.0926	3.3858	1.7763	3.9158		1.7763	3.0445	4.2782
H11	2.6522	2.3948	3.5738	2.0803	3.3485	1.0964	4.3963	1.7763	5.0991	1.7763		4.2782	5.0510
H12	2.7049	3.7036	2.9909	2.7277	2.0886	3.3858	1.0926	3.9158	1.7763	3.0445	4.2782		1.7763
H13	2.6522	3.5738	2.3948	3.3485	2.0803	4.3963	1.0964	5.0991	1.7763	4.2782	5.0510	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C6	114.787	C1	O5	C7	114.787
H2	C1	H3	109.880	H2	C1	O4	110.745
H2	C1	O5	105.374	H3	C1	O4	105.374
H3	C1	O5	110.745	O4	C1	O5	114.758
O4	C6	H8	107.181	O4	C6	H10	112.049
O4	C6	H11	111.118	O5	C7	H9	107.181
O5	C7	H12	112.049	O5	C7	H13	111.118
H8	C6	H10	109.114	H8	C6	H11	108.829
H9	C7	H12	109.114	H9	C7	H13	108.829
H10	C6	H11	108.485	H12	C7	H13	108.485

All results from a given calculation for C₃H₈O₂ (Methane, dimethoxy-)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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	0.038
2	H	0.340
3	H	0.340
4	O	-0.522
5	O	-0.522
6	C	-0.614
7	C	-0.614
8	H	0.263
9	H	0.263
10	H	0.271
11	H	0.243
12	H	0.271
13	H	0.243

	x	y	z
x	6.731	-0.092	0.000
y	-0.092	8.611	0.000
z	0.000	0.000	7.299

<r²>	135.243
(<r²>)^1/2	11.629

All results from a given calculation for C3H8O2 (Methane, dimethoxy-)

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₈O₂ (Methane, dimethoxy-)