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	hartrees
Energy at 0K	-193.052661
Energy at 298.15K	-193.061698
HF Energy	-193.052661
Nuclear repulsion energy	132.629874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3004	51.56
2	A'	3292	2963	64.64
3	A'	3210	2889	32.59
4	A'	3189	2869	140.27
5	A'	3178	2860	30.84
6	A'	1678	1510	2.65
7	A'	1652	1487	4.67
8	A'	1649	1484	10.21
9	A'	1616	1454	0.07
10	A'	1572	1415	25.70
11	A'	1547	1392	15.65
12	A'	1336	1202	54.80
13	A'	1242	1118	129.91
14	A'	1215	1093	27.07
15	A'	1102	992	18.73
16	A'	911	820	17.33
17	A'	479	431	1.42
18	A'	291	262	5.41
19	A"	3310	2979	71.00
20	A"	3253	2927	108.37
21	A"	3224	2901	63.41
22	A"	1647	1482	9.87
23	A"	1631	1468	6.54
24	A"	1415	1273	1.04
25	A"	1297	1167	15.18
26	A"	1259	1133	0.16
27	A"	906	815	0.72
28	A"	262	236	3.46
29	A"	200	180	4.16
30	A"	109	98	6.66

Atom	x (Å)	y (Å)	z (Å)
C1	1.266	1.353	0.000
O2	0.000	0.691	0.000
C3	0.033	-0.744	0.000
C4	-1.402	-1.247	0.000
H5	1.067	2.413	0.000
H6	1.843	1.095	0.885
H7	1.843	1.095	-0.885
H8	0.568	-1.095	-0.880
H9	0.568	-1.095	0.880
H10	-1.425	-2.332	0.000
H11	-1.925	-0.888	0.877
H12	-1.925	-0.888	-0.877

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4291	2.4322	3.7257	1.0785	1.0868	1.0868	2.6932	2.6932	4.5636	3.9973	3.9973
O2	1.4291		1.4347	2.3919	2.0257	2.0836	2.0836	2.0701	2.0701	3.3423	2.6399	2.6399
C3	2.4322	1.4347		1.5210	3.3212	2.7271	2.7271	1.0878	1.0878	2.1569	2.1508	2.1508
C4	3.7257	2.3919	1.5210		4.4148	4.0983	4.0983	2.1627	2.1627	1.0852	1.0827	1.0827
H5	1.0785	2.0257	3.3212	4.4148		1.7664	1.7664	3.6505	3.6505	5.3598	4.5408	4.5408
H6	1.0868	2.0836	2.7271	4.0983	1.7664		1.7695	3.0878	2.5339	4.8177	4.2579	4.6080
H7	1.0868	2.0836	2.7271	4.0983	1.7664	1.7695		2.5339	3.0878	4.8177	4.6080	4.2579
H8	2.6932	2.0701	1.0878	2.1627	3.6505	3.0878	2.5339		1.7598	2.5058	3.0570	2.5016
H9	2.6932	2.0701	1.0878	2.1627	3.6505	2.5339	3.0878	1.7598		2.5058	2.5016	3.0570
H10	4.5636	3.3423	2.1569	1.0852	5.3598	4.8177	4.8177	2.5058	2.5058		1.7619	1.7619
H11	3.9973	2.6399	2.1508	1.0827	4.5408	4.2579	4.6080	3.0570	2.5016	1.7619		1.7544
H12	3.9973	2.6399	2.1508	1.0827	4.5408	4.6080	4.2579	2.5016	3.0570	1.7619	1.7544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	116.270	O2	C1	H5	106.940
O2	C1	H6	111.093	O2	C1	H7	111.093
O2	C3	C4	108.011	O2	C3	H8	109.526
O2	C3	H9	109.526	C3	C4	H10	110.590
C3	C4	H11	110.256	C3	C4	H12	110.256
C4	C3	H8	110.899	C4	C3	H9	110.899
H5	C1	H6	109.337	H5	C1	H7	109.337
H6	C1	H7	108.999	H8	C3	H9	107.969
H10	C4	H11	108.723	H10	C4	H12	108.723
H11	C4	H12	108.232

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

using model chemistry: HF/LANL2DZ

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	-0.290
2	O	-0.501
3	C	-0.025
4	C	-0.537
5	H	0.198
6	H	0.165
7	H	0.165
8	H	0.148
9	H	0.148
10	H	0.155
11	H	0.187
12	H	0.187

	x	y	z	Total
	1.655	-0.982	0.000	1.924
CHELPG
AIM
ESP

	x	y	z
x	5.059	0.577	0.000
y	0.577	5.408	0.000
z	0.000	0.000	4.532

<r²>	105.212
(<r²>)^1/2	10.257

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

using model chemistry: HF/LANL2DZ

States and conformations

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