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	hartrees
Energy at 0K	-193.801996
Energy at 298.15K	-193.811004
HF Energy	-193.117695
Nuclear repulsion energy	133.299938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3164	29.33
2	A'	3163	3163	29.64
3	A'	3075	3075	17.29
4	A'	3012	3012	80.13
5	A'	2995	2995	34.51
6	A'	1541	1541	0.71
7	A'	1512	1512	6.90
8	A'	1505	1505	2.37
9	A'	1487	1487	0.05
10	A'	1447	1447	47.17
11	A'	1400	1400	5.95
12	A'	1259	1259	68.82
13	A'	1201	1201	107.75
14	A'	1126	1126	2.64
15	A'	1069	1069	17.76
16	A'	890	890	10.54
17	A'	475	475	0.68
18	A'	292	292	2.38
19	A"	3168	3168	27.08
20	A"	3066	3066	67.27
21	A"	3031	3031	74.42
22	A"	1489	1489	5.18
23	A"	1484	1484	3.87
24	A"	1305	1305	2.22
25	A"	1212	1212	11.72
26	A"	1176	1176	0.02
27	A"	827	827	0.02
28	A"	273	273	2.38
29	A"	216	216	1.41
30	A"	113	113	2.24

Atom	x (Å)	y (Å)	z (Å)
C1	1.324	1.224	0.000
O2	0.011	0.714	0.000
C3	0.000	-0.699	0.000
C4	-1.449	-1.163	0.000
H5	1.254	2.323	0.000
H6	1.891	0.901	0.898
H7	1.891	0.901	-0.898
H8	0.534	-1.090	-0.894
H9	0.534	-1.090	0.894
H10	-1.503	-2.265	0.000
H11	-1.970	-0.782	0.894
H12	-1.970	-0.782	-0.894

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4088	2.3351	3.6587	1.1012	1.1102	1.1102	2.6030	2.6030	4.4908	3.9593	3.9593
O2	1.4088		1.4138	2.3780	2.0334	2.0925	2.0925	2.0803	2.0803	3.3421	2.6387	2.6387
C3	2.3351	1.4138		1.5210	3.2724	2.6355	2.6355	1.1121	1.1121	2.1705	2.1650	2.1650
C4	3.6587	2.3780	1.5210		4.4114	4.0279	4.0279	2.1762	2.1762	1.1034	1.1029	1.1029
H5	1.1012	2.0334	3.2724	4.4114		1.7981	1.7981	3.6005	3.6005	5.3531	4.5652	4.5652
H6	1.1102	2.0925	2.6355	4.0279	1.7981		1.7964	3.0028	2.4095	4.7281	4.2125	4.5779
H7	1.1102	2.0925	2.6355	4.0279	1.7981	1.7964		2.4095	3.0028	4.7281	4.5779	4.2125
H8	2.6030	2.0803	1.1121	2.1762	3.6005	3.0028	2.4095		1.7877	2.5162	3.0923	2.5231
H9	2.6030	2.0803	1.1121	2.1762	3.6005	2.4095	3.0028	1.7877		2.5162	2.5231	3.0923
H10	4.4908	3.3421	2.1705	1.1034	5.3531	4.7281	4.7281	2.5162	2.5162		1.7935	1.7935
H11	3.9593	2.6387	2.1650	1.1029	4.5652	4.2125	4.5779	3.0923	2.5231	1.7935		1.7881
H12	3.9593	2.6387	2.1650	1.1029	4.5652	4.5779	4.2125	2.5231	3.0923	1.7935	1.7881

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.639	O2	C1	H5	107.587
O2	C1	H6	111.789	O2	C1	H7	111.789
O2	C3	C4	108.189	O2	C3	H8	110.322
O2	C3	H9	110.322	C3	C4	H10	110.579
C3	C4	H11	110.182	C3	C4	H12	110.182
C4	C3	H8	110.517	C4	C3	H9	110.517
H5	C1	H6	108.803	H5	C1	H7	108.803
H6	C1	H7	107.998	H8	C3	H9	106.985
H10	C4	H11	108.761	H10	C4	H12	108.761
H11	C4	H12	108.321

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVDZ

States and conformations

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