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	hartrees
Energy at 0K	-194.391700
Energy at 298.15K	-194.400667
HF Energy	-194.391700
Nuclear repulsion energy	133.448314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3116	3011	38.05
2	A'	3106	3001	36.82
3	A'	3040	2938	21.54
4	A'	2969	2869	102.64
5	A'	2951	2851	39.10
6	A'	1550	1497	2.08
7	A'	1525	1474	4.15
8	A'	1517	1466	8.73
9	A'	1493	1443	0.06
10	A'	1441	1392	37.18
11	A'	1412	1364	1.49
12	A'	1245	1203	36.58
13	A'	1156	1117	156.51
14	A'	1125	1087	5.80
15	A'	1030	995	16.86
16	A'	871	841	13.97
17	A'	468	452	0.52
18	A'	289	279	2.63
19	A"	3111	3006	40.16
20	A"	3005	2903	83.33
21	A"	2974	2874	83.45
22	A"	1502	1452	10.88
23	A"	1500	1450	3.61
24	A"	1313	1269	1.92
25	A"	1207	1166	10.38
26	A"	1176	1136	0.06
27	A"	831	803	0.17
28	A"	267	258	2.35
29	A"	214	207	1.26
30	A"	116	112	2.92

Atom	x (Å)	y (Å)	z (Å)
C1	1.318	1.245	0.000
O2	0.016	0.708	0.000
C3	0.000	-0.708	0.000
C4	-1.444	-1.174	0.000
H5	1.222	2.331	0.000
H6	1.885	0.938	0.892
H7	1.885	0.938	-0.892
H8	0.532	-1.091	-0.886
H9	0.532	-1.091	0.886
H10	-1.498	-2.266	0.000
H11	-1.966	-0.802	0.884
H12	-1.966	-0.802	-0.884

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4090	2.3563	3.6718	1.0905	1.1002	1.1002	2.6193	2.6193	4.5016	3.9697	3.9697
O2	1.4090		1.4160	2.3818	2.0223	2.0841	2.0841	2.0706	2.0706	3.3376	2.6436	2.6436
C3	2.3563	1.4160		1.5171	3.2755	2.6568	2.6568	1.1021	1.1021	2.1619	2.1577	2.1577
C4	3.6718	2.3818	1.5171		4.4038	4.0422	4.0422	2.1666	2.1666	1.0935	1.0924	1.0924
H5	1.0905	2.0223	3.2755	4.4038		1.7820	1.7820	3.6017	3.6017	5.3421	4.5564	4.5564
H6	1.1002	2.0841	2.6568	4.0422	1.7820		1.7831	3.0182	2.4391	4.7448	4.2261	4.5840
H7	1.1002	2.0841	2.6568	4.0422	1.7820	1.7831		2.4391	3.0182	4.7448	4.5840	4.2261
H8	2.6193	2.0706	1.1021	2.1666	3.6017	3.0182	2.4391		1.7723	2.5076	3.0750	2.5143
H9	2.6193	2.0706	1.1021	2.1666	3.6017	2.4391	3.0182	1.7723		2.5076	2.5143	3.0750
H10	4.5016	3.3376	2.1619	1.0935	5.3421	4.7448	4.7448	2.5076	2.5076		1.7735	1.7735
H11	3.9697	2.6436	2.1577	1.0924	4.5564	4.2261	4.5840	3.0750	2.5143	1.7735		1.7685
H12	3.9697	2.6436	2.1577	1.0924	4.5564	4.5840	4.2261	2.5143	3.0750	1.7735	1.7685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	113.038	O2	C1	H5	107.327
O2	C1	H6	111.724	O2	C1	H7	111.724
O2	C3	C4	108.542	O2	C3	H8	110.008
O2	C3	H9	110.008	C3	C4	H10	110.773
C3	C4	H11	110.495	C3	C4	H12	110.495
C4	C3	H8	110.624	C4	C3	H9	110.624
H5	C1	H6	108.869	H5	C1	H7	108.869
H6	C1	H7	108.259	H8	C3	H9	107.035
H10	C4	H11	108.454	H10	C4	H12	108.454
H11	C4	H12	108.087

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

using model chemistry: B3LYP/6-311G*

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	-0.414
2	O	-0.333
3	C	-0.185
4	C	-0.624
5	H	0.212
6	H	0.183
7	H	0.183
8	H	0.176
9	H	0.176
10	H	0.201
11	H	0.213
12	H	0.213

	x	y	z	Total
	0.984	-0.672	0.000	1.192
CHELPG
AIM
ESP

	x	y	z
x	6.245	0.750	0.000
y	0.750	6.247	0.000
z	0.000	0.000	5.389

<r²>	103.770
(<r²>)^1/2	10.187

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

using model chemistry: B3LYP/6-311G*

States and conformations

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