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	hartrees
Energy at 0K	-193.429962
Energy at 298.15K	-193.438746
HF Energy	-193.046944
Nuclear repulsion energy	129.821239

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3173	3056	34.40
2	A'	3135	3019	40.05
3	A'	3034	2922	25.93
4	A'	2997	2886	98.53
5	A'	2991	2881	41.37
6	A'	1555	1498	1.44
7	A'	1543	1486	2.55
8	A'	1537	1481	9.85
9	A'	1489	1434	0.20
10	A'	1459	1405	17.31
11	A'	1425	1372	18.59
12	A'	1210	1165	17.19
13	A'	1122	1080	7.14
14	A'	1082	1042	90.05
15	A'	998	962	19.82
16	A'	804	775	12.36
17	A'	444	427	1.27
18	A'	271	261	5.36
19	A"	3153	3037	42.64
20	A"	3085	2971	73.22
21	A"	3048	2935	69.22
22	A"	1524	1467	10.42
23	A"	1523	1467	3.92
24	A"	1297	1249	0.00
25	A"	1190	1146	9.94
26	A"	1143	1100	0.09
27	A"	852	821	1.46
28	A"	247	237	2.55
29	A"	195	188	3.33
30	A"	98	94	5.40

Atom	x (Å)	y (Å)	z (Å)
C1	1.362	1.301	0.000
O2	0.000	0.727	0.000
C3	0.003	-0.757	0.000
C4	-1.472	-1.209	0.000
H5	1.222	2.391	0.000
H6	1.922	0.990	0.904
H7	1.922	0.990	-0.904
H8	0.539	-1.122	-0.902
H9	0.539	-1.122	0.902
H10	-1.534	-2.312	0.000
H11	-1.986	-0.823	0.896
H12	-1.986	-0.823	-0.896

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4784	2.4667	3.7860	1.0986	1.1073	1.1073	2.7134	2.7134	4.6312	4.0649	4.0649
O2	1.4784		1.4845	2.4319	2.0642	2.1397	2.1397	2.1265	2.1265	3.4047	2.6735	2.6735
C3	2.4667	1.4845		1.5430	3.3758	2.7479	2.7479	1.1102	1.1102	2.1868	2.1826	2.1826
C4	3.7860	2.4319	1.5430		4.4960	4.1436	4.1436	2.2056	2.2056	1.1055	1.1026	1.1026
H5	1.0986	2.0642	3.3758	4.4960		1.8076	1.8076	3.6903	3.6903	5.4512	4.6280	4.6280
H6	1.1073	2.1397	2.7479	4.1436	1.8076		1.8076	3.1036	2.5245	4.8648	4.3074	4.6683
H7	1.1073	2.1397	2.7479	4.1436	1.8076	1.8076		2.5245	3.1036	4.8648	4.6683	4.3074
H8	2.7134	2.1265	1.1102	2.2056	3.6903	3.1036	2.5245		1.8030	2.5549	3.1137	2.5424
H9	2.7134	2.1265	1.1102	2.2056	3.6903	2.5245	3.1036	1.8030		2.5549	2.5424	3.1137
H10	4.6312	3.4047	2.1868	1.1055	5.4512	4.8648	4.8648	2.5549	2.5549		1.7962	1.7962
H11	4.0649	2.6735	2.1826	1.1026	4.6280	4.3074	4.6683	3.1137	2.5424	1.7962		1.7920
H12	4.0649	2.6735	2.1826	1.1026	4.6280	4.6683	4.3074	2.5424	3.1137	1.7962	1.7920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.721	O2	C1	H5	105.509
O2	C1	H6	110.874	O2	C1	H7	110.874
O2	C3	C4	106.872	O2	C3	H8	109.236
O2	C3	H9	109.236	C3	C4	H10	110.218
C3	C4	H11	110.065	C3	C4	H12	110.065
C4	C3	H8	111.427	C4	C3	H9	111.427
H5	C1	H6	110.061	H5	C1	H7	110.061
H6	C1	H7	109.408	H8	C3	H9	108.596
H10	C4	H11	108.871	H10	C4	H12	108.871
H11	C4	H12	108.714

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

using model chemistry: MP2/LANL2DZ

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

using model chemistry: MP2/LANL2DZ

States and conformations

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