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	hartrees
Energy at 0K	-193.793537
Energy at 298.15K	-193.802536
HF Energy	-193.117409
Nuclear repulsion energy	133.166078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3155	3027	30.61
2	A'	3154	3026	29.49
3	A'	3067	2943	17.67
4	A'	3004	2882	82.90
5	A'	2986	2865	34.57
6	A'	1538	1475	0.62
7	A'	1509	1447	6.84
8	A'	1502	1441	2.41
9	A'	1483	1423	0.02
10	A'	1443	1384	47.23
11	A'	1397	1340	6.54
12	A'	1254	1203	65.63
13	A'	1196	1147	111.89
14	A'	1123	1078	2.57
15	A'	1065	1021	17.85
16	A'	887	851	10.80
17	A'	474	455	0.67
18	A'	291	279	2.35
19	A"	3160	3032	27.75
20	A"	3056	2932	68.34
21	A"	3022	2899	76.68
22	A"	1486	1425	5.11
23	A"	1481	1421	3.73
24	A"	1301	1249	2.18
25	A"	1209	1160	11.77
26	A"	1173	1126	0.03
27	A"	825	792	0.02
28	A"	272	261	2.39
29	A"	216	207	1.34
30	A"	113	108	2.23

Atom	x (Å)	y (Å)	z (Å)
C1	1.326	1.225	0.000
O2	0.010	0.716	0.000
C3	0.000	-0.700	0.000
C4	-1.450	-1.164	0.000
H5	1.256	2.325	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		1.4105	2.3368	3.6619	1.1023	1.1115	1.1115	2.6046	2.6046	4.4945	3.9628	3.9628
O2	1.4105		1.4155	2.3802	2.0352	2.0948	2.0948	2.0826	2.0826	3.3453	2.6410	2.6410
C3	2.3368	1.4155		1.5224	3.2751	2.6371	2.6371	1.1133	1.1133	2.1723	2.1670	2.1670
C4	3.6619	2.3802	1.5224		4.4153	4.0308	4.0308	2.1786	2.1786	1.1046	1.1040	1.1040
H5	1.1023	2.0352	3.2751	4.4153		1.8005	1.8005	3.6031	3.6031	5.3578	4.5693	4.5693
H6	1.1115	2.0948	2.6371	4.0308	1.8005		1.7984	3.0044	2.4099	4.7313	4.2156	4.5816
H7	1.1115	2.0948	2.6371	4.0308	1.8005	1.7984		2.4099	3.0044	4.7313	4.5816	4.2156
H8	2.6046	2.0826	1.1133	2.1786	3.6031	3.0044	2.4099		1.7898	2.5188	3.0955	2.5256
H9	2.6046	2.0826	1.1133	2.1786	3.6031	2.4099	3.0044	1.7898		2.5188	2.5256	3.0955
H10	4.4945	3.3453	2.1723	1.1046	5.3578	4.7313	4.7313	2.5188	2.5188		1.7955	1.7955
H11	3.9628	2.6410	2.1670	1.1040	4.5693	4.2156	4.5816	3.0955	2.5256	1.7955		1.7901
H12	3.9628	2.6410	2.1670	1.1040	4.5693	4.5816	4.2156	2.5256	3.0955	1.7955	1.7901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.563	O2	C1	H5	107.543
O2	C1	H6	111.775	O2	C1	H7	111.775
O2	C3	C4	108.166	O2	C3	H8	110.309
O2	C3	H9	110.309	C3	C4	H10	110.558
C3	C4	H11	110.175	C3	C4	H12	110.175
C4	C3	H8	110.537	C4	C3	H9	110.537
H5	C1	H6	108.839	H5	C1	H7	108.839
H6	C1	H7	108.000	H8	C3	H9	106.994
H10	C4	H11	108.771	H10	C4	H12	108.771
H11	C4	H12	108.336

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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