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	hartrees
Energy at 0K	-269.486374
Energy at 298.15K	-269.495743
Nuclear repulsion energy	194.667036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3057	3051	4.81
2	A	2988	2982	71.76
3	A	2927	2921	61.01
4	A	2916	2910	15.31
5	A	1443	1440	6.56
6	A	1429	1426	0.20
7	A	1415	1412	3.63
8	A	1393	1391	0.00
9	A	1275	1272	0.08
10	A	1150	1148	10.93
11	A	1120	1118	6.49
12	A	1058	1056	79.86
13	A	867	865	2.38
14	A	565	564	4.29
15	A	309	308	3.91
16	A	133	133	0.22
17	A	96	95	2.48
18	B	3056	3050	39.02
19	B	2987	2982	7.25
20	B	2983	2977	40.16
21	B	2916	2911	118.65
22	B	1436	1433	7.61
23	B	1415	1413	4.08
24	B	1404	1402	5.71
25	B	1356	1353	9.31
26	B	1195	1193	13.14
27	B	1119	1117	0.45
28	B	1089	1087	75.18
29	B	979	977	260.08
30	B	869	867	92.85
31	B	446	445	5.30
32	B	199	199	14.84
33	B	121	121	1.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.926
H2	-0.731	0.551	1.551
H3	0.731	-0.551	1.551
O4	0.787	0.903	0.152
O5	-0.787	-0.903	0.152
C6	0.000	1.887	-0.556
C7	0.000	-1.887	-0.556
H8	0.719	2.555	-1.057
H9	-0.719	-2.555	-1.057
H10	-0.659	1.413	-1.308
H11	-0.620	2.475	0.153
H12	0.659	-1.413	-1.308
H13	0.620	-2.475	0.153

	C1	H2	H3	O4	O5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.1089	1.1089	1.4258	1.4258	2.3989	2.3989	3.3133	3.3133	2.7247	2.6663	2.7247	2.6663
H2	1.1089		1.8319	2.0941	2.0185	2.5994	3.3040	3.5947	4.0562	2.9874	2.3809	3.7376	3.5975
H3	1.1089	1.8319		2.0185	2.0941	3.3040	2.5994	4.0562	3.5947	3.7376	3.5975	2.9874	2.3809
O4	1.4258	2.0941	2.0185		2.3952	1.4449	2.9836	2.0487	3.9607	2.1176	2.1100	2.7413	3.3824
O5	1.4258	2.0185	2.0941	2.3952		2.9836	1.4449	3.9607	2.0487	2.7413	3.3824	2.1176	2.1100
C6	2.3989	2.5994	3.3040	1.4449	2.9836		3.7732	1.1022	4.5273	1.1067	1.1108	3.4483	4.4625
C7	2.3989	3.3040	2.5994	2.9836	1.4449	3.7732		4.5273	1.1022	3.4483	4.4625	1.1067	1.1108
H8	3.3133	3.5947	4.0562	2.0487	3.9607	1.1022	4.5273		5.3083	1.8068	1.8067	3.9768	5.1749
H9	3.3133	4.0562	3.5947	3.9607	2.0487	4.5273	1.1022	5.3083		3.9768	5.1749	1.8068	1.8067
H10	2.7247	2.9874	3.7376	2.1176	2.7413	1.1067	3.4483	1.8068	3.9768		1.8070	3.1191	4.3469
H11	2.6663	2.3809	3.5975	2.1100	3.3824	1.1108	4.4625	1.8067	5.1749	1.8070		4.3469	5.1038
H12	2.7247	3.7376	2.9874	2.7413	2.1176	3.4483	1.1067	3.9768	1.8068	3.1191	4.3469		1.8070
H13	2.6663	3.5975	2.3809	3.3824	2.1100	4.4625	1.1108	5.1749	1.8067	4.3469	5.1038	1.8070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C6	113.365	C1	O5	C7	113.365
H2	C1	H3	111.373	H2	C1	O4	110.797
H2	C1	O5	104.878	H3	C1	O4	104.878
H3	C1	O5	110.797	O4	C1	O5	114.269
O4	C6	H8	106.312	O4	C6	H10	111.494
O4	C6	H11	110.624	O5	C7	H9	106.312
O5	C7	H12	111.494	O5	C7	H13	110.624
H8	C6	H10	109.758	H8	C6	H11	109.454
H9	C7	H12	109.758	H9	C7	H13	109.454
H10	C6	H11	109.151	H12	C7	H13	109.151

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

using model chemistry: BLYP/aug-cc-pVDZ

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	1.328
2	H	-0.470
3	H	-0.470
4	O	-0.438
5	O	-0.438
6	C	1.254
7	C	1.254
8	H	-0.480
9	H	-0.480
10	H	-0.255
11	H	-0.275
12	H	-0.255
13	H	-0.275

	x	y	z
x	7.203	-0.097	0.000
y	-0.097	9.361	0.000
z	0.000	0.000	7.798

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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