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	hartrees
Energy at 0K	-193.783879
Energy at 298.15K	-193.792833
HF Energy	-193.129253
Nuclear repulsion energy	132.842818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	3050	23.81
2	A'	3168	3038	20.45
3	A'	3073	2947	16.42
4	A'	3018	2894	78.13
5	A'	3005	2882	41.23
6	A'	1515	1453	1.70
7	A'	1495	1434	2.40
8	A'	1491	1430	5.37
9	A'	1457	1397	0.62
10	A'	1414	1356	28.35
11	A'	1375	1319	2.15
12	A'	1225	1175	33.03
13	A'	1153	1106	127.51
14	A'	1110	1064	10.26
15	A'	1042	999	21.28
16	A'	862	827	12.42
17	A'	465	446	0.58
18	A'	289	277	2.73
19	A"	3176	3046	22.12
20	A"	3088	2961	46.00
21	A"	3050	2925	57.33
22	A"	1481	1420	8.24
23	A"	1475	1414	3.85
24	A"	1290	1237	1.65
25	A"	1187	1139	8.47
26	A"	1157	1110	0.00
27	A"	818	784	0.18
28	A"	264	253	1.79
29	A"	212	204	1.51
30	A"	113	109	2.35

Atom	x (Å)	y (Å)	z (Å)
C1	1.329	1.235	0.000
O2	-0.001	0.725	0.000
C3	0.000	-0.703	0.000
C4	-1.443	-1.180	0.000
H5	1.256	2.331	0.000
H6	1.882	0.904	0.899
H7	1.882	0.904	-0.899
H8	0.539	-1.074	-0.895
H9	0.539	-1.074	0.895
H10	-1.477	-2.281	0.000
H11	-1.967	-0.811	0.894
H12	-1.967	-0.811	-0.894

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4242	2.3503	3.6766	1.0979	1.1064	1.1064	2.5997	2.5997	4.4986	3.9817	3.9817
O2	1.4242		1.4285	2.3896	2.0388	2.0944	2.0944	2.0810	2.0810	3.3492	2.6510	2.6510
C3	2.3503	1.4285		1.5196	3.2836	2.6336	2.6336	1.1087	1.1087	2.1612	2.1636	2.1636
C4	3.6766	2.3896	1.5196		4.4283	4.0262	4.0262	2.1772	2.1772	1.1014	1.1000	1.1000
H5	1.0979	2.0388	3.2836	4.4283		1.7987	1.7987	3.5928	3.5928	5.3607	4.5893	4.5893
H6	1.1064	2.0944	2.6336	4.0262	1.7987		1.7983	2.9895	2.3914	4.7159	4.2148	4.5803
H7	1.1064	2.0944	2.6336	4.0262	1.7987	1.7983		2.3914	2.9895	4.7159	4.5803	4.2148
H8	2.5997	2.0810	1.1087	2.1772	3.5928	2.9895	2.3914		1.7896	2.5143	3.0905	2.5205
H9	2.5997	2.0810	1.1087	2.1772	3.5928	2.3914	2.9895	1.7896		2.5143	2.5205	3.0905
H10	4.4986	3.3492	2.1612	1.1014	5.3607	4.7159	4.7159	2.5143	2.5143		1.7887	1.7887
H11	3.9817	2.6510	2.1636	1.1000	4.5893	4.2148	4.5803	3.0905	2.5205	1.7887		1.7873
H12	3.9817	2.6510	2.1636	1.1000	4.5893	4.5803	4.2148	2.5205	3.0905	1.7887	1.7873

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	110.954	O2	C1	H5	107.168
O2	C1	H6	111.091	O2	C1	H7	111.091
O2	C3	C4	108.267	O2	C3	H8	109.568
O2	C3	H9	109.568	C3	C4	H10	110.067
C3	C4	H11	110.342	C3	C4	H12	110.342
C4	C3	H8	110.900	C4	C3	H9	110.900
H5	C1	H6	109.370	H5	C1	H7	109.370
H6	C1	H7	108.719	H8	C3	H9	107.627
H10	C4	H11	108.690	H10	C4	H12	108.690
H11	C4	H12	108.663

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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