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	hartrees
Energy at 0K	-194.242069
Energy at 298.15K	-194.250916
HF Energy	-194.242069
Nuclear repulsion energy	132.669148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3080	3027	35.20
2	A'	3074	3021	31.60
3	A'	2995	2944	24.69
4	A'	2918	2868	120.09
5	A'	2901	2851	47.53
6	A'	1501	1475	1.20
7	A'	1480	1455	0.78
8	A'	1474	1448	10.63
9	A'	1447	1422	0.00
10	A'	1398	1374	33.40
11	A'	1368	1344	4.55
12	A'	1202	1182	27.51
13	A'	1112	1093	166.22
14	A'	1091	1072	5.06
15	A'	1003	986	18.03
16	A'	840	826	15.37
17	A'	458	450	0.44
18	A'	283	278	2.84
19	A"	3081	3028	34.74
20	A"	2963	2912	71.50
21	A"	2932	2882	89.81
22	A"	1460	1435	9.40
23	A"	1458	1433	3.76
24	A"	1272	1250	1.73
25	A"	1168	1148	9.97
26	A"	1139	1119	0.09
27	A"	810	796	0.25
28	A"	254	249	2.28
29	A"	203	199	1.51
30	A"	109	107	3.08

Atom	x (Å)	y (Å)	z (Å)
C1	1.325	1.253	0.000
O2	0.008	0.719	0.000
C3	0.000	-0.709	0.000
C4	-1.445	-1.188	0.000
H5	1.229	2.345	0.000
H6	1.890	0.939	0.898
H7	1.890	0.939	-0.898
H8	0.537	-1.086	-0.892
H9	0.537	-1.086	0.892
H10	-1.479	-2.287	0.000
H11	-1.973	-0.823	0.890
H12	-1.973	-0.823	-0.890

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4206	2.3673	3.6919	1.0962	1.1062	1.1062	2.6245	2.6245	4.5153	3.9969	3.9969
O2	1.4206		1.4284	2.3979	2.0327	2.0963	2.0963	2.0825	2.0825	3.3535	2.6636	2.6636
C3	2.3673	1.4284		1.5224	3.2918	2.6631	2.6631	1.1080	1.1080	2.1623	2.1677	2.1677
C4	3.6919	2.3979	1.5224		4.4306	4.0559	4.0559	2.1764	2.1764	1.0988	1.0979	1.0979
H5	1.0962	2.0327	3.2918	4.4306		1.7945	1.7945	3.6120	3.6120	5.3647	4.5908	4.5908
H6	1.1062	2.0963	2.6631	4.0559	1.7945		1.7952	3.0223	2.4351	4.7494	4.2455	4.6066
H7	1.1062	2.0963	2.6631	4.0559	1.7945	1.7952		2.4351	3.0223	4.7494	4.6066	4.2455
H8	2.6245	2.0825	1.1080	2.1764	3.6120	3.0223	2.4351		1.7849	2.5105	3.0904	2.5244
H9	2.6245	2.0825	1.1080	2.1764	3.6120	2.4351	3.0223	1.7849		2.5105	2.5244	3.0904
H10	4.5153	3.3535	2.1623	1.0988	5.3647	4.7494	4.7494	2.5105	2.5105		1.7833	1.7833
H11	3.9969	2.6636	2.1677	1.0979	4.5908	4.2455	4.6066	3.0904	2.5244	1.7833		1.7806
H12	3.9969	2.6636	2.1677	1.0979	4.5908	4.6066	4.2455	2.5244	3.0904	1.7833	1.7806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.592	O2	C1	H5	107.061
O2	C1	H6	112.031	O2	C1	H7	112.031
O2	C3	C4	108.407	O2	C3	H8	110.337
O2	C3	H9	110.337	C3	C4	H10	110.033
C3	C4	H11	110.544	C3	C4	H12	110.544
C4	C3	H8	110.389	C4	C3	H9	110.389
H5	C1	H6	108.703	H5	C1	H7	108.703
H6	C1	H7	108.215	H8	C3	H9	106.989
H10	C4	H11	108.431	H10	C4	H12	108.431
H11	C4	H12	108.797

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

using model chemistry: B97D3/6-31+G**

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	-0.312
3	C	-0.065
4	C	-0.561
5	H	0.152
6	H	0.129
7	H	0.129
8	H	0.125
9	H	0.125
10	H	0.151
11	H	0.169
12	H	0.169

	x	y	z	Total
	1.006	-0.798	0.000	1.284
CHELPG
AIM
ESP

	x	y	z
x	6.901	0.766	0.000
y	0.766	6.824	0.000
z	0.000	0.000	5.847

<r²>	104.713
(<r²>)^1/2	10.233

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

using model chemistry: B97D3/6-31+G**

States and conformations

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