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	hartrees
Energy at 0K	-194.299097
Energy at 298.15K	-194.308101
HF Energy	-194.299097
Nuclear repulsion energy	134.019501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	3143	23.13
2	A'	3141	3141	19.74
3	A'	3058	3058	12.85
4	A'	3008	3008	70.71
5	A'	2994	2994	32.14
6	A'	1542	1542	2.95
7	A'	1518	1518	7.07
8	A'	1508	1508	5.15
9	A'	1488	1488	0.47
10	A'	1437	1437	36.50
11	A'	1397	1397	0.73
12	A'	1260	1260	73.80
13	A'	1206	1206	113.31
14	A'	1126	1126	5.45
15	A'	1063	1063	18.25
16	A'	887	887	9.17
17	A'	476	476	0.75
18	A'	293	293	2.95
19	A"	3141	3141	20.73
20	A"	3058	3058	52.71
21	A"	3027	3027	58.71
22	A"	1497	1497	9.06
23	A"	1484	1484	6.62
24	A"	1309	1309	2.27
25	A"	1207	1207	10.39
26	A"	1175	1175	0.24
27	A"	825	825	0.22
28	A"	264	264	3.56
29	A"	214	214	0.43
30	A"	119	119	2.80

Atom	x (Å)	y (Å)	z (Å)
C1	1.318	1.226	0.000
O2	0.013	0.708	0.000
C3	0.000	-0.701	0.000
C4	-1.442	-1.162	0.000
H5	1.241	2.313	0.000
H6	1.875	0.907	0.891
H7	1.875	0.907	-0.891
H8	0.530	-1.080	-0.887
H9	0.530	-1.080	0.887
H10	-1.500	-2.252	0.000
H11	-1.955	-0.782	0.885
H12	-1.955	-0.782	-0.885

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4042	2.3348	3.6497	1.0892	1.0984	1.0984	2.5933	2.5933	4.4763	3.9405	3.9405
O2	1.4042		1.4095	2.3694	2.0203	2.0742	2.0742	2.0620	2.0620	3.3243	2.6221	2.6221
C3	2.3348	1.4095		1.5139	3.2591	2.6262	2.6262	1.1004	1.1004	2.1576	2.1473	2.1473
C4	3.6497	2.3694	1.5139		4.3897	4.0098	4.0098	2.1638	2.1638	1.0914	1.0908	1.0908
H5	1.0892	2.0203	3.2591	4.3897		1.7810	1.7810	3.5778	3.5778	5.3241	4.5356	4.5356
H6	1.0984	2.0742	2.6262	4.0098	1.7810		1.7825	2.9865	2.3996	4.7080	4.1861	4.5471
H7	1.0984	2.0742	2.6262	4.0098	1.7810	1.7825		2.3996	2.9865	4.7080	4.5471	4.1861
H8	2.5933	2.0620	1.1004	2.1638	3.5778	2.9865	2.3996		1.7735	2.5062	3.0662	2.5028
H9	2.5933	2.0620	1.1004	2.1638	3.5778	2.3996	2.9865	1.7735		2.5062	2.5028	3.0662
H10	4.4763	3.3243	2.1576	1.0914	5.3241	4.7080	4.7080	2.5062	2.5062		1.7746	1.7746
H11	3.9405	2.6221	2.1473	1.0908	4.5356	4.1861	4.5471	3.0662	2.5028	1.7746		1.7691
H12	3.9405	2.6221	2.1473	1.0908	4.5356	4.5471	4.1861	2.5028	3.0662	1.7746	1.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.156	O2	C1	H5	107.573
O2	C1	H6	111.373	O2	C1	H7	111.373
O2	C3	C4	108.241	O2	C3	H8	109.874
O2	C3	H9	109.874	C3	C4	H10	110.779
C3	C4	H11	109.993	C3	C4	H12	109.993
C4	C3	H8	110.732	C4	C3	H9	110.732
H5	C1	H6	109.005	H5	C1	H7	109.005
H6	C1	H7	108.463	H8	C3	H9	107.391
H10	C4	H11	108.825	H10	C4	H12	108.825
H11	C4	H12	108.374

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

using model chemistry: M06-2X/6-311G**

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	-0.178
2	O	-0.371
3	C	-0.078
4	C	-0.397
5	H	0.138
6	H	0.114
7	H	0.114
8	H	0.118
9	H	0.118
10	H	0.131
11	H	0.145
12	H	0.145

	x	y	z	Total
	1.040	-0.723	0.000	1.267
CHELPG
AIM
ESP

	x	y	z
x	6.146	0.749	0.000
y	0.749	6.160	0.000
z	0.000	0.000	5.284

<r²>	102.606
(<r²>)^1/2	10.129

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

using model chemistry: M06-2X/6-311G**

States and conformations

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