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	hartrees
Energy at 0K	-194.281013
Energy at 298.15K	-194.289992
HF Energy	-194.281013
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3005	27.40
2	A'	3165	3002	33.72
3	A'	3086	2927	17.02
4	A'	3003	2848	86.63
5	A'	2988	2834	35.75
6	A'	1573	1492	1.41
7	A'	1542	1463	2.78
8	A'	1538	1459	9.03
9	A'	1515	1437	0.04
10	A'	1461	1386	42.89
11	A'	1423	1350	5.12
12	A'	1270	1205	76.74
13	A'	1212	1149	113.12
14	A'	1139	1081	6.68
15	A'	1064	1009	16.84
16	A'	894	848	9.43
17	A'	479	455	0.61
18	A'	296	281	2.91
19	A"	3173	3010	27.66
20	A"	3050	2893	65.77
21	A"	3020	2865	85.56
22	A"	1520	1442	7.59
23	A"	1516	1438	4.21
24	A"	1321	1253	1.81
25	A"	1224	1161	10.75
26	A"	1189	1128	0.09
27	A"	839	796	0.40
28	A"	265	252	2.41
29	A"	208	197	1.31
30	A"	113	108	2.72

Atom	x (Å)	y (Å)	z (Å)
C1	1.266	1.281	0.000
O2	0.000	0.700	0.000
C3	0.026	-0.712	0.000
C4	-1.402	-1.202	0.000
H5	1.119	2.364	0.000
H6	1.849	1.001	0.893
H7	1.849	1.001	-0.893
H8	0.560	-1.093	-0.886
H9	0.560	-1.093	0.886
H10	-1.427	-2.298	0.000
H11	-1.925	-0.840	0.889
H12	-1.925	-0.840	-0.889

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3929	2.3474	3.6439	1.0929	1.1025	1.1025	2.6310	2.6310	4.4789	3.9333	3.9333
O2	1.3929		1.4122	2.3621	2.0058	2.0752	2.0752	2.0771	2.0771	3.3200	2.6206	2.6206
C3	2.3474	1.4122		1.5091	3.2648	2.6564	2.6564	1.1026	1.1026	2.1508	2.1477	2.1477
C4	3.6439	2.3621	1.5091		4.3668	4.0269	4.0269	2.1549	2.1549	1.0965	1.0929	1.0929
H5	1.0929	2.0058	3.2648	4.3668		1.7849	1.7849	3.6129	3.6129	5.3121	4.5085	4.5085
H6	1.1025	2.0752	2.6564	4.0269	1.7849		1.7858	3.0358	2.4597	4.7345	4.1993	4.5616
H7	1.1025	2.0752	2.6564	4.0269	1.7849	1.7858		2.4597	3.0358	4.7345	4.5616	4.1993
H8	2.6310	2.0771	1.1026	2.1549	3.6129	3.0358	2.4597		1.7727	2.4868	3.0641	2.4975
H9	2.6310	2.0771	1.1026	2.1549	3.6129	2.4597	3.0358	1.7727		2.4868	2.4975	3.0641
H10	4.4789	3.3200	2.1508	1.0965	5.3121	4.7345	4.7345	2.4868	2.4868		1.7781	1.7781
H11	3.9333	2.6206	2.1477	1.0929	4.5085	4.1993	4.5616	3.0641	2.4975	1.7781		1.7777
H12	3.9333	2.6206	2.1477	1.0929	4.5085	4.5616	4.1993	2.4975	3.0641	1.7781	1.7777

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	113.611	O2	C1	H5	106.971
O2	C1	H6	112.010	O2	C1	H7	112.010
O2	C3	C4	107.867	O2	C3	H8	110.766
O2	C3	H9	110.766	C3	C4	H10	110.267
C3	C4	H11	110.233	C3	C4	H12	110.233
C4	C3	H8	110.229	C4	C3	H9	110.229
H5	C1	H6	108.791	H5	C1	H7	108.791
H6	C1	H7	108.180	H8	C3	H9	107.003
H10	C4	H11	108.610	H10	C4	H12	108.610
H11	C4	H12	108.841

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

using model chemistry: wB97X-D/6-31G*

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	-0.235
2	O	-0.467
3	C	-0.038
4	C	-0.509
5	H	0.179
6	H	0.142
7	H	0.142
8	H	0.134
9	H	0.134
10	H	0.162
11	H	0.178
12	H	0.178

	x	y	z	Total
	0.958	-0.698	0.000	1.185
CHELPG
AIM
ESP

	x	y	z
x	5.669	0.643	0.000
y	0.643	5.803	0.000
z	0.000	0.000	5.071

<r²>	102.573
(<r²>)^1/2	10.128

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

using model chemistry: wB97X-D/6-31G*

States and conformations

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