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	hartrees
Energy at 0K	-269.519179
Energy at 298.15K	-269.528784
Nuclear repulsion energy	198.456293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3166	3034	4.95
2	A	3102	2973	64.39
3	A	3032	2906	59.29
4	A	3020	2894	18.09
5	A	1494	1431	7.65
6	A	1483	1421	0.03
7	A	1464	1403	4.84
8	A	1443	1383	0.30
9	A	1331	1275	1.01
10	A	1214	1163	51.47
11	A	1169	1120	20.32
12	A	1155	1107	41.35
13	A	953	914	3.40
14	A	606	581	5.63
15	A	319	306	4.00
16	A	148	142	0.14
17	A	98	94	2.40
18	B	3166	3034	37.37
19	B	3101	2972	6.06
20	B	3091	2962	41.22
21	B	3021	2895	108.78
22	B	1484	1422	9.07
23	B	1464	1403	2.72
24	B	1459	1398	12.68
25	B	1411	1352	5.76
26	B	1249	1197	17.76
27	B	1172	1123	194.28
28	B	1165	1116	45.77
29	B	1081	1036	113.25
30	B	971	930	68.26
31	B	452	433	5.18
32	B	212	203	15.87
33	B	134	128	1.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.921
H2	-0.718	0.551	1.548
H3	0.718	-0.551	1.548
O4	0.773	0.880	0.158
O5	-0.773	-0.880	0.158
C6	0.000	1.826	-0.556
C7	0.000	-1.826	-0.556
H8	0.702	2.473	-1.090
H9	-0.702	-2.473	-1.090
H10	-0.670	1.339	-1.278
H11	-0.604	2.439	0.133
H12	0.670	-1.339	-1.278
H13	0.604	-2.439	0.133

	C1	H2	H3	O4	O5	C6	C7	H8	H9	H10	H11	H12	H13
C1		1.1012	1.1012	1.3978	1.3978	2.3488	2.3488	3.2643	3.2643	2.6605	2.6336	2.6605	2.6336
H2	1.1012		1.8104	2.0645	1.9960	2.5629	3.2551	3.5597	4.0137	2.9344	2.3622	3.6725	3.5629
H3	1.1012	1.8104		1.9960	2.0645	3.2551	2.5629	4.0137	3.5597	3.6725	3.5629	2.9344	2.3622
O4	1.3978	2.0645	1.9960		2.3428	1.4152	2.9039	2.0253	3.8706	2.0869	2.0801	2.6457	3.3239
O5	1.3978	1.9960	2.0645	2.3428		2.9039	1.4152	3.8706	2.0253	2.6457	3.3239	2.0869	2.0801
C6	2.3488	2.5629	3.2551	1.4152	2.9039		3.6524	1.0942	4.3893	1.0986	1.1024	3.3151	4.3628
C7	2.3488	3.2551	2.5629	2.9039	1.4152	3.6524		4.3893	1.0942	3.3151	4.3628	1.0986	1.1024
H8	3.2643	3.5597	4.0137	2.0253	3.8706	1.0942	4.3893		5.1425	1.7901	1.7896	3.8175	5.0637
H9	3.2643	4.0137	3.5597	3.8706	2.0253	4.3893	1.0942	5.1425		3.8175	5.0637	1.7901	1.7896
H10	2.6605	2.9344	3.6725	2.0869	2.6457	1.0986	3.3151	1.7901	3.8175		1.7904	2.9946	4.2296
H11	2.6336	2.3622	3.5629	2.0801	3.3239	1.1024	4.3628	1.7896	5.0637	1.7904		4.2296	5.0259
H12	2.6605	3.6725	2.9344	2.6457	2.0869	3.3151	1.0986	3.8175	1.7901	2.9946	4.2296		1.7904
H13	2.6336	3.5629	2.3622	3.3239	2.0801	4.3628	1.1024	5.0637	1.7896	4.2296	5.0259	1.7904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C6	113.229	C1	O5	C7	113.229
H2	C1	H3	110.579	H2	C1	O4	110.850
H2	C1	O5	105.397	H3	C1	O4	105.397
H3	C1	O5	110.850	O4	C1	O5	113.861
O4	C6	H8	106.933	O4	C6	H10	111.614
O4	C6	H11	110.819	O5	C7	H9	106.933
O5	C7	H12	111.614	O5	C7	H13	110.819
H8	C6	H10	109.437	H8	C6	H11	109.121
H9	C7	H12	109.437	H9	C7	H13	109.121
H10	C6	H11	108.868	H12	C7	H13	108.868

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

using model chemistry: mPW1PW91/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	1.043
2	H	-0.267
3	H	-0.267
4	O	-0.565
5	O	-0.565
6	C	0.755
7	C	0.755
8	H	-0.281
9	H	-0.281
10	H	-0.075
11	H	-0.089
12	H	-0.075
13	H	-0.089

	x	y	z
x	6.600	-0.083	0.000
y	-0.083	8.443	0.000
z	0.000	0.000	7.202

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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