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	hartrees
Energy at 0K	-193.324220
Energy at 298.15K	-193.333163
HF Energy	-193.324220
Nuclear repulsion energy	134.484717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3097	3039	11.52
2	A'	3072	3015	19.77
3	A'	3002	2946	9.95
4	A'	2892	2838	74.50
5	A'	2868	2815	43.18
6	A'	1483	1455	3.39
7	A'	1453	1426	3.48
8	A'	1444	1417	8.42
9	A'	1421	1394	3.30
10	A'	1379	1353	41.85
11	A'	1332	1307	0.78
12	A'	1232	1209	154.84
13	A'	1184	1162	22.20
14	A'	1095	1075	3.99
15	A'	1060	1040	23.90
16	A'	872	855	5.30
17	A'	466	458	0.66
18	A'	284	279	3.11
19	A"	3093	3035	13.27
20	A"	2937	2882	47.72
21	A"	2894	2839	82.70
22	A"	1424	1397	11.56
23	A"	1421	1394	5.82
24	A"	1248	1225	1.94
25	A"	1166	1145	8.75
26	A"	1130	1109	0.96
27	A"	798	783	1.59
28	A"	273	268	2.00
29	A"	219	215	0.42
30	A"	128	125	2.50

Atom	x (Å)	y (Å)	z (Å)
C1	1.299	1.214	0.000
O2	0.002	0.712	0.000
C3	0.000	-0.685	0.000
C4	-1.421	-1.163	0.000
H5	1.242	2.314	0.000
H6	1.873	0.888	0.897
H7	1.873	0.888	-0.897
H8	0.549	-1.071	-0.892
H9	0.549	-1.071	0.892
H10	-1.467	-2.263	0.000
H11	-1.951	-0.790	0.891
H12	-1.951	-0.790	-0.891

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3906	2.3010	3.6126	1.1013	1.1134	1.1134	2.5655	2.5655	4.4432	3.9210	3.9210
O2	1.3906		1.3971	2.3542	2.0252	2.0817	2.0817	2.0676	2.0676	3.3182	2.6204	2.6204
C3	2.3010	1.3971		1.4996	3.2458	2.6048	2.6048	1.1163	1.1163	2.1546	2.1473	2.1473
C4	3.6126	2.3542	1.4996		4.3794	3.9825	3.9825	2.1647	2.1647	1.1013	1.1016	1.1016
H5	1.1013	2.0252	3.2458	4.3794		1.7990	1.7990	3.5687	3.5687	5.3184	4.5411	4.5411
H6	1.1134	2.0817	2.6048	3.9825	1.7990		1.7937	2.9649	2.3644	4.6782	4.1754	4.5422
H7	1.1134	2.0817	2.6048	3.9825	1.7990	1.7937		2.3644	2.9649	4.6782	4.5422	4.1754
H8	2.5655	2.0676	1.1163	2.1647	3.5687	2.9649	2.3644		1.7842	2.5059	3.0834	2.5152
H9	2.5655	2.0676	1.1163	2.1647	3.5687	2.3644	2.9649	1.7842		2.5059	2.5152	3.0834
H10	4.4432	3.3182	2.1546	1.1013	5.3184	4.6782	4.6782	2.5059	2.5059		1.7882	1.7882
H11	3.9210	2.6204	2.1473	1.1016	4.5411	4.1754	4.5422	3.0834	2.5152	1.7882		1.7828
H12	3.9210	2.6204	2.1473	1.1016	4.5411	4.5422	4.1754	2.5152	3.0834	1.7882	1.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.257	O2	C1	H5	108.167
O2	C1	H6	111.996	O2	C1	H7	111.996
O2	C3	C4	108.672	O2	C3	H8	110.192
O2	C3	H9	110.192	C3	C4	H10	110.949
C3	C4	H11	110.348	C3	C4	H12	110.348
C4	C3	H8	110.839	C4	C3	H9	110.839
H5	C1	H6	108.639	H5	C1	H7	108.639
H6	C1	H7	107.311	H8	C3	H9	106.098
H10	C4	H11	108.538	H10	C4	H12	108.538
H11	C4	H12	108.039

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

using model chemistry: LSDA/6-31G**

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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Number	Element	Mulliken
1	C	-0.195
2	O	-0.389
3	C	-0.022
4	C	-0.446
5	H	0.149
6	H	0.118
7	H	0.118
8	H	0.108
9	H	0.108
10	H	0.140
11	H	0.156
12	H	0.156

	x	y	z	Total
	0.800	-0.624	0.000	1.015
CHELPG
AIM
ESP

	x	y	z
x	6.073	0.771	0.000
y	0.771	6.172	0.000
z	0.000	0.000	5.320

<r²>	101.484
(<r²>)^1/2	10.074

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

using model chemistry: LSDA/6-31G**

States and conformations

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