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	hartrees
Energy at 0K	-194.190719
Energy at 298.15K	-194.199701
HF Energy	-193.974433
Nuclear repulsion energy	133.637707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	3144	32.40
2	A'	3137	3137	29.14
3	A'	3062	3062	18.12
4	A'	2994	2994	89.94
5	A'	2978	2978	37.86
6	A'	1550	1550	1.55
7	A'	1524	1524	4.21
8	A'	1518	1518	6.76
9	A'	1494	1494	0.03
10	A'	1446	1446	37.50
11	A'	1412	1412	1.66
12	A'	1249	1249	38.80
13	A'	1168	1168	143.86
14	A'	1128	1128	4.72
15	A'	1042	1042	17.08
16	A'	878	878	13.30
17	A'	469	469	0.57
18	A'	290	290	2.60
19	A"	3144	3144	31.29
20	A"	3039	3039	69.19
21	A"	3008	3008	75.35
22	A"	1499	1499	9.64
23	A"	1497	1497	2.95
24	A"	1312	1312	2.06
25	A"	1213	1213	10.69
26	A"	1178	1178	0.00
27	A"	835	835	0.10
28	A"	268	268	2.21
29	A"	213	213	1.38
30	A"	112	112	2.65

Atom	x (Å)	y (Å)	z (Å)
C1	1.321	1.234	0.000
O2	0.011	0.711	0.000
C3	0.000	-0.704	0.000
C4	-1.443	-1.169	0.000
H5	1.236	2.320	0.000
H6	1.882	0.920	0.891
H7	1.882	0.920	-0.891
H8	0.529	-1.085	-0.887
H9	0.529	-1.085	0.887
H10	-1.494	-2.260	0.000
H11	-1.960	-0.795	0.885
H12	-1.960	-0.795	-0.885

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4102	2.3456	3.6627	1.0893	1.0988	1.0988	2.6063	2.6063	4.4875	3.9578	3.9578
O2	1.4102		1.4155	2.3772	2.0221	2.0823	2.0823	2.0692	2.0692	3.3313	2.6338	2.6338
C3	2.3456	1.4155		1.5160	3.2672	2.6404	2.6404	1.1006	1.1006	2.1575	2.1524	2.1524
C4	3.6627	2.3772	1.5160		4.3993	4.0262	4.0262	2.1639	2.1639	1.0924	1.0912	1.0912
H5	1.0893	2.0221	3.2672	4.3993		1.7811	1.7811	3.5893	3.5893	5.3327	4.5499	4.5499
H6	1.0988	2.0823	2.6404	4.0262	1.7811		1.7823	3.0015	2.4184	4.7227	4.2069	4.5664
H7	1.0988	2.0823	2.6404	4.0262	1.7811	1.7823		2.4184	3.0015	4.7227	4.5664	4.2069
H8	2.6063	2.0692	1.1006	2.1639	3.5893	3.0015	2.4184		1.7732	2.5023	3.0690	2.5061
H9	2.6063	2.0692	1.1006	2.1639	3.5893	2.4184	3.0015	1.7732		2.5023	2.5061	3.0690
H10	4.4875	3.3313	2.1575	1.0924	5.3327	4.7227	4.7227	2.5023	2.5023		1.7743	1.7743
H11	3.9578	2.6338	2.1524	1.0912	4.5499	4.2069	4.5664	3.0690	2.5061	1.7743		1.7697
H12	3.9578	2.6338	2.1524	1.0912	4.5499	4.5664	4.2069	2.5061	3.0690	1.7743	1.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.222	O2	C1	H5	107.304
O2	C1	H6	111.580	O2	C1	H7	111.580
O2	C3	C4	108.321	O2	C3	H8	110.023
O2	C3	H9	110.023	C3	C4	H10	110.559
C3	C4	H11	110.227	C3	C4	H12	110.227
C4	C3	H8	110.575	C4	C3	H9	110.575
H5	C1	H6	108.968	H5	C1	H7	108.968
H6	C1	H7	108.381	H8	C3	H9	107.327
H10	C4	H11	108.697	H10	C4	H12	108.697
H11	C4	H12	108.377

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	-0.093
2	O	-0.364
3	C	-0.007
4	C	-0.301
5	H	0.111
6	H	0.083
7	H	0.083
8	H	0.082
9	H	0.082
10	H	0.100
11	H	0.112
12	H	0.112

	x	y	z	Total
	1.007	-0.680	0.000	1.215
CHELPG
AIM
ESP

	x	y	z
x	6.269	0.765	0.000
y	0.765	6.267	0.000
z	0.000	0.000	5.385

<r²>	103.322
(<r²>)^1/2	10.165

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-)