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	hartrees
Energy at 0K	-193.183302
Energy at 298.15K	-193.192448
HF Energy	-193.183302
Nuclear repulsion energy	134.715416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	2935	44.77
2	A'	3224	2916	45.21
3	A'	3165	2863	23.07
4	A'	3125	2827	103.58
5	A'	3107	2811	31.72
6	A'	1652	1495	1.97
7	A'	1624	1469	6.11
8	A'	1617	1463	1.98
9	A'	1607	1454	0.62
10	A'	1559	1411	38.02
11	A'	1519	1374	3.69
12	A'	1361	1231	73.68
13	A'	1277	1155	177.85
14	A'	1207	1092	7.46
15	A'	1109	1003	16.51
16	A'	939	849	12.41
17	A'	496	448	0.66
18	A'	308	279	2.69
19	A"	3234	2925	49.91
20	A"	3161	2859	80.83
21	A"	3131	2832	55.00
22	A"	1615	1461	6.47
23	A"	1598	1446	4.44
24	A"	1414	1279	2.82
25	A"	1303	1179	11.98
26	A"	1270	1149	0.00
27	A"	881	797	0.03
28	A"	279	252	2.04
29	A"	217	196	2.19
30	A"	116	105	2.79

Atom	x (Å)	y (Å)	z (Å)
C1	1.252	1.296	0.000
O2	0.000	0.694	0.000
C3	0.029	-0.700	0.000
C4	-1.390	-1.225	0.000
H5	1.105	2.366	0.000
H6	1.826	1.021	0.883
H7	1.826	1.021	-0.883
H8	0.565	-1.060	-0.877
H9	0.565	-1.060	0.877
H10	-1.388	-2.309	0.000
H11	-1.922	-0.882	0.878
H12	-1.922	-0.882	-0.878

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3888	2.3404	3.6514	1.0803	1.0880	1.0880	2.6056	2.6056	4.4680	3.9482	3.9482
O2	1.3888		1.3943	2.3697	2.0041	2.0539	2.0539	2.0409	2.0409	3.3086	2.6363	2.6363
C3	2.3404	1.3943		1.5128	3.2493	2.6397	2.6397	1.0893	1.0893	2.1442	2.1475	2.1475
C4	3.6514	2.3697	1.5128		4.3728	4.0202	4.0202	2.1490	2.1490	1.0840	1.0828	1.0828
H5	1.0803	2.0041	3.2493	4.3728		1.7627	1.7627	3.5773	3.5773	5.2984	4.5261	4.5261
H6	1.0880	2.0539	2.6397	4.0202	1.7627		1.7651	3.0024	2.4327	4.7112	4.2034	4.5571
H7	1.0880	2.0539	2.6397	4.0202	1.7627	1.7651		2.4327	3.0024	4.7112	4.5571	4.2034
H8	2.6056	2.0409	1.0893	2.1490	3.5773	3.0024	2.4327		1.7543	2.4789	3.0497	2.4941
H9	2.6056	2.0409	1.0893	2.1490	3.5773	2.4327	3.0024	1.7543		2.4789	2.4941	3.0497
H10	4.4680	3.3086	2.1442	1.0840	5.2984	4.7112	4.7112	2.4789	2.4789		1.7590	1.7590
H11	3.9482	2.6363	2.1475	1.0828	4.5261	4.2034	4.5571	3.0497	2.4941	1.7590		1.7557
H12	3.9482	2.6363	2.1475	1.0828	4.5261	4.5571	4.2034	2.4941	3.0497	1.7590	1.7557

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.478	O2	C1	H5	107.868
O2	C1	H6	111.470	O2	C1	H7	111.470
O2	C3	C4	109.134	O2	C3	H8	109.911
O2	C3	H9	109.911	C3	C4	H10	110.226
C3	C4	H11	110.565	C3	C4	H12	110.565
C4	C3	H8	110.300	C4	C3	H9	110.300
H5	C1	H6	108.771	H5	C1	H7	108.771
H6	C1	H7	108.423	H8	C3	H9	107.268
H10	C4	H11	108.545	H10	C4	H12	108.545
H11	C4	H12	108.331

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

using model chemistry: HF/daug-cc-pVTZ

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	-1.571
2	O	-0.736
3	C	-0.361
4	C	-1.266
5	H	0.574
6	H	0.650
7	H	0.650
8	H	0.554
9	H	0.554
10	H	0.272
11	H	0.340
12	H	0.340

	x	y	z	Total
	1.052	-0.717	0.000	1.273
CHELPG
AIM
ESP

	x	y	z
x	6.559	0.703	0.000
y	0.703	6.604	0.000
z	0.000	0.000	5.684

<r²>	102.429
(<r²>)^1/2	10.121

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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