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	hartrees
Energy at 0K	-193.856636
Energy at 298.15K	-193.865544
HF Energy	-193.128247
Nuclear repulsion energy	132.359778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3157	3084
2	A'	3151	3078
3	A'	3069	2998
4	A'	3005	2935
5	A'	2983	2914
6	A'	1579	1543
7	A'	1551	1515
8	A'	1545	1510
9	A'	1512	1477
10	A'	1467	1433
11	A'	1427	1395
12	A'	1256	1227
13	A'	1178	1150
14	A'	1139	1112
15	A'	1055	1031
16	A'	884	864
17	A'	475	464
18	A'	295	288
19	A"	3162	3089
20	A"	3061	2990
21	A"	3019	2949
22	A"	1531	1496
23	A"	1531	1495
24	A"	1317	1286
25	A"	1226	1198
26	A"	1185	1157
27	A"	840	821
28	A"	276	270
29	A"	221	216
30	A"	115	112

Atom	x (Å)	y (Å)	z (Å)
C1	1.335	1.239	0.000
O2	-0.000	0.728	0.000
C3	0.000	-0.706	0.000
C4	-1.449	-1.184	0.000
H5	1.261	2.338	0.000
H6	1.889	0.906	0.903
H7	1.889	0.906	-0.903
H8	0.540	-1.078	-0.898
H9	0.540	-1.078	0.898
H10	-1.484	-2.289	0.000
H11	-1.975	-0.814	0.897
H12	-1.975	-0.814	-0.897

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4291	2.3585	3.6905	1.1016	1.1105	1.1105	2.6090	2.6090	4.5155	3.9963	3.9963
O2	1.4291		1.4337	2.3991	2.0451	2.1015	2.1015	2.0884	2.0884	3.3621	2.6611	2.6611
C3	2.3585	1.4337		1.5260	3.2945	2.6424	2.6424	1.1124	1.1124	2.1700	2.1717	2.1717
C4	3.6905	2.3991	1.5260		4.4441	4.0409	4.0409	2.1852	2.1852	1.1051	1.1037	1.1037
H5	1.1016	2.0451	3.2945	4.4441		1.8054	1.8054	3.6051	3.6051	5.3799	4.6054	4.6054
H6	1.1105	2.1015	2.6424	4.0409	1.8054		1.8054	3.0002	2.3996	4.7332	4.2297	4.5966
H7	1.1105	2.1015	2.6424	4.0409	1.8054	1.8054		2.3996	3.0002	4.7332	4.5966	4.2297
H8	2.6090	2.0884	1.1124	2.1852	3.6051	3.0002	2.3996		1.7964	2.5240	3.1014	2.5291
H9	2.6090	2.0884	1.1124	2.1852	3.6051	2.3996	3.0002	1.7964		2.5240	2.5291	3.1014
H10	4.5155	3.3621	2.1700	1.1051	5.3799	4.7332	4.7332	2.5240	2.5240		1.7946	1.7946
H11	3.9963	2.6611	2.1717	1.1037	4.6054	4.2297	4.5966	3.1014	2.5291	1.7946		1.7939
H12	3.9963	2.6611	2.1717	1.1037	4.6054	4.5966	4.2297	2.5291	3.1014	1.7946	1.7939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	110.937	O2	C1	H5	107.113
O2	C1	H6	111.066	O2	C1	H7	111.066
O2	C3	C4	108.270	O2	C3	H8	109.572
O2	C3	H9	109.572	C3	C4	H10	110.101
C3	C4	H11	110.318	C3	C4	H12	110.318
C4	C3	H8	110.865	C4	C3	H9	110.865
H5	C1	H6	109.402	H5	C1	H7	109.402
H6	C1	H7	108.760	H8	C3	H9	107.688
H10	C4	H11	108.675	H10	C4	H12	108.675
H11	C4	H12	108.706

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

using model chemistry: MP4/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: MP4/aug-cc-pVDZ

States and conformations

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