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	hartrees
Energy at 0K	-193.177355
Energy at 298.15K	-193.186306
HF Energy	-193.177355
Nuclear repulsion energy	132.066906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3149	2983	12.93
2	A'	3148	2982	19.29
3	A'	3067	2906	7.80
4	A'	3039	2878	39.93
5	A'	3008	2849	28.97
6	A'	1602	1517	1.73
7	A'	1587	1503	8.86
8	A'	1567	1484	7.95
9	A'	1520	1440	0.56
10	A'	1459	1382	16.48
11	A'	1431	1355	22.06
12	A'	1237	1171	34.58
13	A'	1159	1097	87.28
14	A'	1130	1070	7.27
15	A'	1026	972	7.16
16	A'	867	821	7.82
17	A'	460	435	1.48
18	A'	278	263	4.56
19	A"	3141	2976	15.04
20	A"	3085	2922	51.53
21	A"	3040	2879	46.08
22	A"	1562	1480	9.08
23	A"	1548	1466	6.58
24	A"	1324	1254	0.05
25	A"	1214	1150	10.05
26	A"	1174	1112	0.14
27	A"	860	815	1.45
28	A"	271	257	3.52
29	A"	210	199	0.01
30	A"	113	107	5.24

Atom	x (Å)	y (Å)	z (Å)
C1	1.340	1.256	0.000
O2	0.000	0.713	0.000
C3	0.008	-0.738	0.000
C4	-1.458	-1.169	0.000
H5	1.236	2.342	0.000
H6	1.905	0.946	0.891
H7	1.905	0.946	-0.891
H8	0.530	-1.120	-0.890
H9	0.530	-1.120	0.890
H10	-1.545	-2.259	0.000
H11	-1.951	-0.765	0.886
H12	-1.951	-0.765	-0.886

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4462	2.3981	3.7028	1.0906	1.0990	1.0990	2.6637	2.6637	4.5471	3.9629	3.9629
O2	1.4462		1.4506	2.3806	2.0446	2.1157	2.1157	2.1055	2.1055	3.3491	2.6032	2.6032
C3	2.3981	1.4506		1.5274	3.3153	2.6887	2.6887	1.1003	1.1003	2.1732	2.1503	2.1503
C4	3.7028	2.3806	1.5274		4.4252	4.0713	4.0713	2.1780	2.1780	1.0929	1.0923	1.0923
H5	1.0906	2.0446	3.3153	4.4252		1.7852	1.7852	3.6435	3.6435	5.3754	4.5381	4.5381
H6	1.0990	2.1157	2.6887	4.0713	1.7852		1.7816	3.0548	2.4824	4.7922	4.2187	4.5778
H7	1.0990	2.1157	2.6887	4.0713	1.7852	1.7816		2.4824	3.0548	4.7922	4.5778	4.2187
H8	2.6637	2.1055	1.1003	2.1780	3.6435	3.0548	2.4824		1.7792	2.5280	3.0720	2.5066
H9	2.6637	2.1055	1.1003	2.1780	3.6435	2.4824	3.0548	1.7792		2.5280	2.5066	3.0720
H10	4.5471	3.3491	2.1732	1.0929	5.3754	4.7922	4.7922	2.5280	2.5280		1.7842	1.7842
H11	3.9629	2.6032	2.1503	1.0923	4.5381	4.2187	4.5778	3.0720	2.5066	1.7842		1.7727
H12	3.9629	2.6032	2.1503	1.0923	4.5381	4.5778	4.2187	2.5066	3.0720	1.7842	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.756	O2	C1	H5	106.564
O2	C1	H6	111.726	O2	C1	H7	111.726
O2	C3	C4	106.117	O2	C3	H8	110.505
O2	C3	H9	110.505	C3	C4	H10	110.982
C3	C4	H11	109.205	C3	C4	H12	109.205
C4	C3	H8	110.917	C4	C3	H9	110.917
H5	C1	H6	109.237	H5	C1	H7	109.237
H6	C1	H7	108.302	H8	C3	H9	107.905
H10	C4	H11	109.467	H10	C4	H12	109.467
H11	C4	H12	108.472

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

using model chemistry: M06-2X/3-21G*

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	-0.312
2	O	-0.518
3	C	-0.130
4	C	-0.587
5	H	0.213
6	H	0.177
7	H	0.177
8	H	0.180
9	H	0.180
10	H	0.191
11	H	0.214
12	H	0.214

	x	y	z	Total
	1.252	-0.813	0.000	1.492
CHELPG
AIM
ESP

	x	y	z
x	5.290	0.760	0.000
y	0.760	5.519	0.000
z	0.000	0.000	4.546

<r²>	104.664
(<r²>)^1/2	10.231

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

using model chemistry: M06-2X/3-21G*

States and conformations

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