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	hartrees
Energy at 0K	-194.261020
Energy at 298.15K	-194.269860
HF Energy	-194.261020
Nuclear repulsion energy	132.365290

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3041	3024	27.00
2	A'	3031	3015	32.09
3	A'	2972	2955	17.97
4	A'	2882	2866	86.01
5	A'	2858	2842	41.24
6	A'	1496	1487	0.65
7	A'	1469	1461	2.73
8	A'	1460	1452	6.96
9	A'	1439	1431	0.60
10	A'	1381	1374	34.01
11	A'	1361	1354	4.90
12	A'	1196	1189	24.02
13	A'	1096	1090	150.15
14	A'	1081	1075	4.56
15	A'	988	983	12.43
16	A'	832	827	11.64
17	A'	453	451	0.39
18	A'	278	277	2.22
19	A"	3043	3026	29.43
20	A"	2913	2897	67.28
21	A"	2878	2863	77.09
22	A"	1447	1439	4.04
23	A"	1443	1435	2.89
24	A"	1257	1250	1.32
25	A"	1168	1162	8.79
26	A"	1134	1128	0.05
27	A"	803	799	0.29
28	A"	254	252	1.85
29	A"	206	205	0.48
30	A"	115	114	2.26

Atom	x (Å)	y (Å)	z (Å)
C1	1.330	1.250	0.000
O2	0.012	0.718	0.000
C3	0.000	-0.711	0.000
C4	-1.456	-1.182	0.000
H5	1.239	2.346	0.000
H6	1.905	0.938	0.897
H7	1.905	0.938	-0.897
H8	0.538	-1.099	-0.892
H9	0.538	-1.099	0.892
H10	-1.502	-2.282	0.000
H11	-1.982	-0.810	0.892
H12	-1.982	-0.810	-0.892

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4216	2.3694	3.6978	1.0999	1.1101	1.1101	2.6348	2.6348	4.5273	4.0011	4.0011
O2	1.4216		1.4288	2.4006	2.0385	2.1062	2.1062	2.0915	2.0915	3.3603	2.6655	2.6655
C3	2.3694	1.4288		1.5299	3.2983	2.6743	2.6743	1.1118	1.1118	2.1737	2.1759	2.1759
C4	3.6978	2.4006	1.5299		4.4390	4.0731	4.0731	2.1855	2.1855	1.1010	1.1005	1.1005
H5	1.0999	2.0385	3.2983	4.4390		1.7974	1.7974	3.6272	3.6272	5.3786	4.5964	4.5964
H6	1.1101	2.1062	2.6743	4.0731	1.7974		1.7946	3.0367	2.4534	4.7729	4.2618	4.6220
H7	1.1101	2.1062	2.6743	4.0731	1.7974	1.7946		2.4534	3.0367	4.7729	4.6220	4.2618
H8	2.6348	2.0915	1.1118	2.1855	3.6272	3.0367	2.4534		1.7847	2.5212	3.1012	2.5367
H9	2.6348	2.0915	1.1118	2.1855	3.6272	2.4534	3.0367	1.7847		2.5212	2.5367	3.1012
H10	4.5273	3.3603	2.1737	1.1010	5.3786	4.7729	4.7729	2.5212	2.5212		1.7871	1.7871
H11	4.0011	2.6655	2.1759	1.1005	4.5964	4.2618	4.6220	3.1012	2.5367	1.7871		1.7831
H12	4.0011	2.6655	2.1759	1.1005	4.5964	4.6220	4.2618	2.5367	3.1012	1.7871	1.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.452	O2	C1	H5	107.205
O2	C1	H6	112.010	O2	C1	H7	112.010
O2	C3	C4	108.406	O2	C3	H8	110.193
O2	C3	H9	110.193	C3	C4	H10	110.362
C3	C4	H11	110.565	C3	C4	H12	110.565
C4	C3	H8	110.647	C4	C3	H9	110.647
H5	C1	H6	108.837	H5	C1	H7	108.837
H6	C1	H7	107.866	H8	C3	H9	106.760
H10	C4	H11	108.532	H10	C4	H12	108.532
H11	C4	H12	108.213

All results from a given calculation for CH₃OC₂H₅ (Ethane, methoxy-)

using model chemistry: BLYP/6-31G(2df,p)

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	-0.211
2	O	-0.171
3	C	-0.019
4	C	-0.343
5	H	0.110
6	H	0.088
7	H	0.088
8	H	0.068
9	H	0.068
10	H	0.099
11	H	0.111
12	H	0.111

	x	y	z	Total
	0.755	-0.609	0.000	0.970
CHELPG
AIM
ESP

	x	y	z
x	6.344	0.907	0.000
y	0.907	6.416	0.000
z	0.000	0.000	5.372

<r²>	104.882
(<r²>)^1/2	10.241

All results from a given calculation for CH3OC2H5 (Ethane, methoxy-)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃OC₂H₅ (Ethane, methoxy-)