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	hartrees
Energy at 0K	-193.158254
Energy at 298.15K	-193.167422
HF Energy	-193.158254
Nuclear repulsion energy	134.588939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3258	2960	50.47
2	A'	3233	2937	50.65
3	A'	3169	2879	23.65
4	A'	3132	2845	106.81
5	A'	3115	2830	28.19
6	A'	1658	1507	1.42
7	A'	1627	1478	6.92
8	A'	1620	1472	2.07
9	A'	1609	1461	0.69
10	A'	1565	1422	48.15
11	A'	1518	1379	3.45
12	A'	1363	1238	78.27
13	A'	1281	1164	169.87
14	A'	1209	1098	7.07
15	A'	1110	1009	17.84
16	A'	943	857	13.99
17	A'	496	450	0.68
18	A'	307	279	2.75
19	A"	3243	2947	56.30
20	A"	3170	2880	100.99
21	A"	3143	2855	61.33
22	A"	1613	1465	5.90
23	A"	1598	1452	4.36
24	A"	1415	1286	3.27
25	A"	1304	1184	14.04
26	A"	1270	1154	0.00
27	A"	884	803	0.00
28	A"	284	258	2.57
29	A"	219	199	2.67
30	A"	115	104	3.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.254	1.294	0.000
O2	0.000	0.693	0.000
C3	0.030	-0.702	0.000
C4	-1.393	-1.221	0.000
H5	1.107	2.366	0.000
H6	1.829	1.018	0.885
H7	1.829	1.018	-0.885
H8	0.566	-1.064	-0.879
H9	0.566	-1.064	0.879
H10	-1.402	-2.307	0.000
H11	-1.922	-0.869	0.879
H12	-1.922	-0.869	-0.879

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3908	2.3418	3.6513	1.0819	1.0900	1.0900	2.6089	2.6089	4.4752	3.9422	3.9422
O2	1.3908		1.3960	2.3673	2.0058	2.0572	2.0572	2.0446	2.0446	3.3121	2.6283	2.6283
C3	2.3418	1.3960		1.5144	3.2517	2.6416	2.6416	1.0911	1.0911	2.1512	2.1473	2.1473
C4	3.6513	2.3673	1.5144		4.3720	4.0217	4.0217	2.1525	2.1525	1.0864	1.0848	1.0848
H5	1.0819	2.0058	3.2517	4.3720		1.7660	1.7660	3.5817	3.5817	5.3043	4.5182	4.5182
H6	1.0900	2.0572	2.6416	4.0217	1.7660		1.7690	3.0069	2.4353	4.7204	4.1987	4.5542
H7	1.0900	2.0572	2.6416	4.0217	1.7660	1.7690		2.4353	3.0069	4.7204	4.5542	4.1987
H8	2.6089	2.0446	1.0911	2.1525	3.5817	3.0069	2.4353		1.7584	2.4885	3.0525	2.4950
H9	2.6089	2.0446	1.0911	2.1525	3.5817	2.4353	3.0069	1.7584		2.4885	2.4950	3.0525
H10	4.4752	3.3121	2.1512	1.0864	5.3043	4.7204	4.7204	2.4885	2.4885		1.7637	1.7637
H11	3.9422	2.6283	2.1473	1.0848	4.5182	4.1987	4.5542	3.0525	2.4950	1.7637		1.7588
H12	3.9422	2.6283	2.1473	1.0848	4.5182	4.5542	4.1987	2.4950	3.0525	1.7637	1.7588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.352	O2	C1	H5	107.764
O2	C1	H6	111.469	O2	C1	H7	111.469
O2	C3	C4	108.791	O2	C3	H8	109.985
O2	C3	H9	109.985	C3	C4	H10	110.534
C3	C4	H11	110.314	C3	C4	H12	110.314
C4	C3	H8	110.350	C4	C3	H9	110.350
H5	C1	H6	108.795	H5	C1	H7	108.795
H6	C1	H7	108.482	H8	C3	H9	107.373
H10	C4	H11	108.649	H10	C4	H12	108.649
H11	C4	H12	108.320

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

using model chemistry: HF/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	0.005
2	O	-0.464
3	C	0.086
4	C	-0.251
5	H	0.094
6	H	0.065
7	H	0.065
8	H	0.063
9	H	0.063
10	H	0.082
11	H	0.096
12	H	0.096

	x	y	z	Total
	1.148	-0.695	0.000	1.342
CHELPG
AIM
ESP

	x	y	z
x	5.725	0.615	0.000
y	0.615	5.878	0.000
z	0.000	0.000	5.109

<r²>	102.409
(<r²>)^1/2	10.120

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

using model chemistry: HF/6-311G**

States and conformations

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