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	hartrees
Energy at 0K	-194.165093
Energy at 298.15K	-194.174098
HF Energy	-193.963653
Nuclear repulsion energy	133.694944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3155	35.61
2	A'	3142	3142	33.27
3	A'	3069	3069	19.85
4	A'	3004	3004	95.19
5	A'	2987	2987	38.88
6	A'	1567	1567	1.83
7	A'	1543	1543	5.67
8	A'	1534	1534	6.99
9	A'	1509	1509	0.06
10	A'	1457	1457	38.23
11	A'	1425	1425	1.94
12	A'	1258	1258	38.10
13	A'	1171	1171	144.67
14	A'	1136	1136	5.89
15	A'	1045	1045	17.89
16	A'	881	881	13.48
17	A'	473	473	0.56
18	A'	293	293	2.69
19	A"	3149	3149	35.80
20	A"	3049	3049	75.48
21	A"	3016	3016	80.69
22	A"	1520	1520	9.14
23	A"	1517	1517	5.33
24	A"	1324	1324	1.90
25	A"	1221	1221	10.68
26	A"	1188	1188	0.02
27	A"	838	838	0.12
28	A"	272	272	2.43
29	A"	218	218	1.42
30	A"	115	115	2.78

Atom	x (Å)	y (Å)	z (Å)
C1	1.320	1.234	0.000
O2	0.012	0.711	0.000
C3	0.000	-0.704	0.000
C4	-1.442	-1.168	0.000
H5	1.233	2.320	0.000
H6	1.881	0.921	0.890
H7	1.881	0.921	-0.890
H8	0.530	-1.085	-0.886
H9	0.530	-1.085	0.886
H10	-1.497	-2.259	0.000
H11	-1.961	-0.794	0.884
H12	-1.961	-0.794	-0.884

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4092	2.3454	3.6611	1.0886	1.0981	1.0981	2.6051	2.6051	4.4879	3.9575	3.9575
O2	1.4092		1.4149	2.3759	2.0199	2.0809	2.0809	2.0681	2.0681	3.3311	2.6340	2.6340
C3	2.3454	1.4149		1.5150	3.2655	2.6402	2.6402	1.1003	1.1003	2.1585	2.1526	2.1526
C4	3.6611	2.3759	1.5150		4.3957	4.0248	4.0248	2.1640	2.1640	1.0921	1.0908	1.0908
H5	1.0886	2.0199	3.2655	4.3957		1.7804	1.7804	3.5871	3.5871	5.3309	4.5474	4.5474
H6	1.0981	2.0809	2.6402	4.0248	1.7804		1.7809	2.9999	2.4176	4.7238	4.2071	4.5659
H7	1.0981	2.0809	2.6402	4.0248	1.7804	1.7809		2.4176	2.9999	4.7238	4.5659	4.2071
H8	2.6051	2.0681	1.1003	2.1640	3.5871	2.9999	2.4176		1.7714	2.5050	3.0695	2.5081
H9	2.6051	2.0681	1.1003	2.1640	3.5871	2.4176	2.9999	1.7714		2.5050	2.5081	3.0695
H10	4.4879	3.3311	2.1585	1.0921	5.3309	4.7238	4.7238	2.5050	2.5050		1.7723	1.7723
H11	3.9575	2.6340	2.1526	1.0908	4.5474	4.2071	4.5659	3.0695	2.5081	1.7723		1.7676
H12	3.9575	2.6340	2.1526	1.0908	4.5474	4.5659	4.2071	2.5081	3.0695	1.7723	1.7676

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.302	O2	C1	H5	107.231
O2	C1	H6	111.582	O2	C1	H7	111.582
O2	C3	C4	108.322	O2	C3	H8	109.986
O2	C3	H9	109.986	C3	C4	H10	110.726
C3	C4	H11	110.337	C3	C4	H12	110.337
C4	C3	H8	110.671	C4	C3	H9	110.671
H5	C1	H6	109.011	H5	C1	H7	109.011
H6	C1	H7	108.367	H8	C3	H9	107.209
H10	C4	H11	108.568	H10	C4	H12	108.568
H11	C4	H12	108.234

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

using model chemistry: B2PLYP/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	-0.420
2	O	-0.341
3	C	-0.187
4	C	-0.640
5	H	0.215
6	H	0.187
7	H	0.187
8	H	0.179
9	H	0.179
10	H	0.205
11	H	0.218
12	H	0.218

	x	y	z	Total
	1.018	-0.685	0.000	1.227
CHELPG
AIM
ESP

	x	y	z
x	6.126	0.715	0.000
y	0.715	6.138	0.000
z	0.000	0.000	5.308

<r²>	103.297
(<r²>)^1/2	10.164

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

using model chemistry: B2PLYP/6-311G*

States and conformations

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