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	hartrees
Energy at 0K	-193.792507
Energy at 298.15K	-193.801508
HF Energy	-193.117478
Nuclear repulsion energy	133.195552

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	2991	31.32
2	A'	3156	2990	28.30
3	A'	3070	2908	17.45
4	A'	3007	2849	80.54
5	A'	2989	2832	34.12
6	A'	1538	1457	0.68
7	A'	1509	1430	6.81
8	A'	1502	1423	2.34
9	A'	1485	1407	0.04
10	A'	1444	1368	46.93
11	A'	1398	1324	6.13
12	A'	1257	1190	67.60
13	A'	1199	1136	109.23
14	A'	1124	1065	2.61
15	A'	1066	1010	17.67
16	A'	889	842	10.57
17	A'	475	450	0.67
18	A'	292	276	2.37
19	A"	3162	2995	27.46
20	A"	3060	2899	67.69
21	A"	3025	2866	74.56
22	A"	1487	1409	5.08
23	A"	1481	1403	3.80
24	A"	1303	1234	2.18
25	A"	1210	1146	11.76
26	A"	1174	1112	0.02
27	A"	826	782	0.02
28	A"	272	257	2.38
29	A"	216	204	1.40
30	A"	112	106	2.24

Atom	x (Å)	y (Å)	z (Å)
C1	1.325	1.224	0.000
O2	0.011	0.715	0.000
C3	0.000	-0.700	0.000
C4	-1.450	-1.164	0.000
H5	1.256	2.324	0.000
H6	1.893	0.901	0.899
H7	1.893	0.901	-0.899
H8	0.535	-1.090	-0.895
H9	0.535	-1.090	0.895
H10	-1.504	-2.267	0.000
H11	-1.972	-0.783	0.895
H12	-1.972	-0.783	-0.895

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4099	2.3364	3.6613	1.1022	1.1112	1.1112	2.6044	2.6044	4.4939	3.9623	3.9623
O2	1.4099		1.4149	2.3799	2.0348	2.0941	2.0941	2.0819	2.0819	3.3448	2.6409	2.6409
C3	2.3364	1.4149		1.5223	3.2745	2.6368	2.6368	1.1130	1.1130	2.1722	2.1669	2.1669
C4	3.6613	2.3799	1.5223		4.4146	4.0305	4.0305	2.1781	2.1781	1.1045	1.1039	1.1039
H5	1.1022	2.0348	3.2745	4.4146		1.8000	1.8000	3.6027	3.6027	5.3570	4.5686	4.5686
H6	1.1112	2.0941	2.6368	4.0305	1.8000		1.7981	3.0044	2.4102	4.7310	4.2153	4.5812
H7	1.1112	2.0941	2.6368	4.0305	1.8000	1.7981		2.4102	3.0044	4.7310	4.5812	4.2153
H8	2.6044	2.0819	1.1130	2.1781	3.6027	3.0044	2.4102		1.7894	2.5182	3.0950	2.5251
H9	2.6044	2.0819	1.1130	2.1781	3.6027	2.4102	3.0044	1.7894		2.5182	2.5251	3.0950
H10	4.4939	3.3448	2.1722	1.1045	5.3570	4.7310	4.7310	2.5182	2.5182		1.7953	1.7953
H11	3.9623	2.6409	2.1669	1.1039	4.5686	4.2153	4.5812	3.0950	2.5251	1.7953		1.7899
H12	3.9623	2.6409	2.1669	1.1039	4.5686	4.5812	4.2153	2.5251	3.0950	1.7953	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.601	O2	C1	H5	107.560
O2	C1	H6	111.779	O2	C1	H7	111.779
O2	C3	C4	108.184	O2	C3	H8	110.316
O2	C3	H9	110.316	C3	C4	H10	110.560
C3	C4	H11	110.178	C3	C4	H12	110.178
C4	C3	H8	110.519	C4	C3	H9	110.519
H5	C1	H6	108.820	H5	C1	H7	108.820
H6	C1	H7	108.012	H8	C3	H9	106.999
H10	C4	H11	108.769	H10	C4	H12	108.769
H11	C4	H12	108.334

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

using model chemistry: CCSD/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/cc-pVDZ

States and conformations

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