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	hartrees
Energy at 0K	-193.187475
Energy at 298.15K	-193.196630
HF Energy	-193.187475
Nuclear repulsion energy	134.753598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	2944	47.08
2	A'	3228	2926	46.07
3	A'	3167	2871	23.10
4	A'	3128	2835	102.45
5	A'	3110	2819	31.33
6	A'	1655	1500	1.62
7	A'	1626	1474	6.22
8	A'	1618	1467	1.86
9	A'	1608	1458	0.68
10	A'	1561	1415	39.85
11	A'	1520	1378	3.45
12	A'	1362	1235	75.12
13	A'	1278	1158	176.87
14	A'	1207	1094	7.56
15	A'	1109	1005	16.55
16	A'	939	852	12.63
17	A'	496	450	0.67
18	A'	308	279	2.65
19	A"	3237	2934	50.77
20	A"	3164	2868	84.80
21	A"	3134	2840	57.27
22	A"	1615	1464	6.17
23	A"	1599	1449	4.26
24	A"	1414	1282	3.04
25	A"	1304	1182	12.23
26	A"	1271	1152	0.00
27	A"	881	799	0.01
28	A"	280	254	2.09
29	A"	217	197	2.26
30	A"	116	105	2.72

Atom	x (Å)	y (Å)	z (Å)
C1	1.241	1.303	0.000
O2	0.000	0.693	0.000
C3	0.033	-0.709	0.000
C4	-1.381	-1.221	0.000
H5	1.082	2.372	0.000
H6	1.817	1.033	0.883
H7	1.817	1.033	-0.883
H8	0.562	-1.081	-0.876
H9	0.562	-1.081	0.876
H10	-1.393	-2.307	0.000
H11	-1.904	-0.871	0.879
H12	-1.904	-0.871	-0.879

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3829	2.3467	3.6394	1.0805	1.0881	1.0881	2.6291	2.6291	4.4689	3.9228	3.9228
O2	1.3829		1.4021	2.3600	1.9976	2.0484	2.0484	2.0563	2.0563	3.3075	2.6157	2.6157
C3	2.3467	1.4021		1.5039	3.2545	2.6445	2.6445	1.0884	1.0884	2.1420	2.1337	2.1337
C4	3.6394	2.3600	1.5039		4.3560	4.0104	4.0104	2.1352	2.1352	1.0860	1.0815	1.0815
H5	1.0805	1.9976	3.2545	4.3560		1.7644	1.7644	3.6000	3.6000	5.2933	4.4947	4.4947
H6	1.0881	2.0484	2.6445	4.0104	1.7644		1.7651	3.0224	2.4582	4.7156	4.1796	4.5356
H7	1.0881	2.0484	2.6445	4.0104	1.7644	1.7651		2.4582	3.0224	4.7156	4.5356	4.1796
H8	2.6291	2.0563	1.0884	2.1352	3.6000	3.0224	2.4582		1.7518	2.4680	3.0338	2.4748
H9	2.6291	2.0563	1.0884	2.1352	3.6000	2.4582	3.0224	1.7518		2.4680	2.4748	3.0338
H10	4.4689	3.3075	2.1420	1.0860	5.2933	4.7156	4.7156	2.4680	2.4680		1.7602	1.7602
H11	3.9228	2.6157	2.1337	1.0815	4.4947	4.1796	4.5356	3.0338	2.4748	1.7602		1.7579
H12	3.9228	2.6157	2.1337	1.0815	4.4947	4.5356	4.1796	2.4748	3.0338	1.7602	1.7579

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.833	O2	C1	H5	107.735
O2	C1	H6	111.427	O2	C1	H7	111.427
O2	C3	C4	108.551	O2	C3	H8	110.678
O2	C3	H9	110.678	C3	C4	H10	110.559
C3	C4	H11	110.161	C3	C4	H12	110.161
C4	C3	H8	109.875	C4	C3	H9	109.875
H5	C1	H6	108.894	H5	C1	H7	108.894
H6	C1	H7	108.406	H8	C3	H9	107.179
H10	C4	H11	108.596	H10	C4	H12	108.596
H11	C4	H12	108.716

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

using model chemistry: HF/Def2TZVPP

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	0.022
2	O	-0.400
3	C	0.168
4	C	-0.155
5	H	0.074
6	H	0.045
7	H	0.045
8	H	0.023
9	H	0.023
10	H	0.042
11	H	0.057
12	H	0.057

	x	y	z	Total
	1.046	-0.694	0.000	1.255
CHELPG
AIM
ESP

	x	y	z
x	6.249	0.667	0.000
y	0.667	6.366	0.000
z	0.000	0.000	5.527

<r²>	102.363
(<r²>)^1/2	10.117

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

using model chemistry: HF/Def2TZVPP

States and conformations

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