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	hartrees
Energy at 0K	-194.255833
Energy at 298.15K	-194.264822
HF Energy	-194.255833
Nuclear repulsion energy	133.831409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3007	25.92
2	A'	3151	3000	22.79
3	A'	3068	2922	15.35
4	A'	3018	2874	88.55
5	A'	3007	2863	36.57
6	A'	1537	1464	1.91
7	A'	1515	1443	5.65
8	A'	1507	1435	5.99
9	A'	1486	1415	0.45
10	A'	1438	1369	39.02
11	A'	1396	1329	1.88
12	A'	1262	1202	98.27
13	A'	1211	1153	95.16
14	A'	1124	1070	4.74
15	A'	1067	1016	20.40
16	A'	887	845	9.86
17	A'	477	454	0.66
18	A'	296	282	2.95
19	A"	3157	3006	23.45
20	A"	3071	2924	52.62
21	A"	3041	2896	70.33
22	A"	1498	1427	8.85
23	A"	1488	1417	6.21
24	A"	1304	1242	2.77
25	A"	1201	1144	11.32
26	A"	1171	1115	0.16
27	A"	820	781	0.09
28	A"	259	247	3.74
29	A"	210	200	0.58
30	A"	124	118	2.93

Atom	x (Å)	y (Å)	z (Å)
C1	1.317	1.233	0.000
O2	0.012	0.710	0.000
C3	0.000	-0.700	0.000
C4	-1.441	-1.169	0.000
H5	1.234	2.321	0.000
H6	1.875	0.914	0.893
H7	1.875	0.914	-0.893
H8	0.533	-1.077	-0.889
H9	0.533	-1.077	0.889
H10	-1.487	-2.262	0.000
H11	-1.960	-0.796	0.887
H12	-1.960	-0.796	-0.887

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4053	2.3388	3.6567	1.0913	1.1003	1.1003	2.5956	2.5956	4.4802	3.9541	3.9541
O2	1.4053		1.4103	2.3753	2.0219	2.0754	2.0754	2.0625	2.0625	3.3285	2.6347	2.6347
C3	2.3388	1.4103		1.5150	3.2635	2.6300	2.6300	1.1027	1.1027	2.1562	2.1529	2.1529
C4	3.6567	2.3753	1.5150		4.3971	4.0158	4.0158	2.1667	2.1667	1.0936	1.0929	1.0929
H5	1.0913	2.0219	3.2635	4.3971		1.7853	1.7853	3.5812	3.5812	5.3296	4.5497	4.5497
H6	1.1003	2.0754	2.6300	4.0158	1.7853		1.7866	2.9895	2.4003	4.7097	4.1980	4.5597
H7	1.1003	2.0754	2.6300	4.0158	1.7853	1.7866		2.4003	2.9895	4.7097	4.5597	4.1980
H8	2.5956	2.0625	1.1027	2.1667	3.5812	2.9895	2.4003		1.7774	2.5051	3.0732	2.5086
H9	2.5956	2.0625	1.1027	2.1667	3.5812	2.4003	2.9895	1.7774		2.5051	2.5086	3.0732
H10	4.4802	3.3285	2.1562	1.0936	5.3296	4.7097	4.7097	2.5051	2.5051		1.7770	1.7770
H11	3.9541	2.6347	2.1529	1.0929	4.5497	4.1980	4.5597	3.0732	2.5086	1.7770		1.7730
H12	3.9541	2.6347	2.1529	1.0929	4.5497	4.5597	4.1980	2.5086	3.0732	1.7770	1.7730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.335	O2	C1	H5	107.499
O2	C1	H6	111.268	O2	C1	H7	111.268
O2	C3	C4	108.526	O2	C3	H8	109.709
O2	C3	H9	109.709	C3	C4	H10	110.460
C3	C4	H11	110.233	C3	C4	H12	110.233
C4	C3	H8	110.746	C4	C3	H9	110.746
H5	C1	H6	109.103	H5	C1	H7	109.103
H6	C1	H7	108.556	H8	C3	H9	107.396
H10	C4	H11	108.724	H10	C4	H12	108.724
H11	C4	H12	108.414

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

using model chemistry: M06-2X/6-31+G**

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	-0.198
2	O	-0.374
3	C	-0.015
4	C	-0.594
5	H	0.158
6	H	0.133
7	H	0.133
8	H	0.128
9	H	0.128
10	H	0.156
11	H	0.173
12	H	0.173

	x	y	z	Total
	1.072	-0.811	0.000	1.344
CHELPG
AIM
ESP

	x	y	z
x	6.414	0.632	0.000
y	0.632	6.440	0.000
z	0.000	0.000	5.625

<r²>	103.043
(<r²>)^1/2	10.151

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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