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	hartrees
Energy at 0K	-193.986389
Energy at 298.15K	-193.995293
HF Energy	-193.852176
Nuclear repulsion energy	131.556126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3185	27.03
2	A'	3155	3155	29.65
3	A'	3076	3076	18.10
4	A'	3023	3023	69.30
5	A'	3007	3007	36.62
6	A'	1589	1589	0.78
7	A'	1567	1567	1.52
8	A'	1562	1562	12.67
9	A'	1514	1514	0.34
10	A'	1477	1477	13.25
11	A'	1444	1444	25.89
12	A'	1232	1232	19.74
13	A'	1142	1142	7.10
14	A'	1105	1105	103.82
15	A'	1025	1025	17.93
16	A'	834	834	13.49
17	A'	460	460	1.02
18	A'	280	280	4.23
19	A"	3169	3169	31.57
20	A"	3081	3081	70.34
21	A"	3044	3044	68.37
22	A"	1548	1548	6.47
23	A"	1546	1546	6.10
24	A"	1324	1324	0.07
25	A"	1214	1214	10.03
26	A"	1170	1170	0.06
27	A"	861	861	0.72
28	A"	257	257	2.71
29	A"	203	203	1.85
30	A"	110	110	5.15

Atom	x (Å)	y (Å)	z (Å)
C1	1.331	1.294	0.000
O2	0.000	0.714	0.000
C3	0.006	-0.744	0.000
C4	-1.444	-1.202	0.000
H5	1.191	2.374	0.000
H6	1.897	0.996	0.894
H7	1.897	0.996	-0.894
H8	0.541	-1.113	-0.889
H9	0.541	-1.113	0.889
H10	-1.504	-2.295	0.000
H11	-1.960	-0.822	0.886
H12	-1.960	-0.822	-0.886

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4518	2.4308	3.7323	1.0898	1.0990	1.0990	2.6847	2.6847	4.5736	4.0112	4.0112
O2	1.4518		1.4584	2.3992	2.0435	2.1162	2.1162	2.1026	2.1026	3.3642	2.6429	2.6429
C3	2.4308	1.4584		1.5210	3.3364	2.7213	2.7213	1.1011	1.1011	2.1647	2.1578	2.1578
C4	3.7323	2.3992	1.5210		4.4424	4.0985	4.0985	2.1769	2.1769	1.0953	1.0934	1.0934
H5	1.0898	2.0435	3.3364	4.4424		1.7879	1.7879	3.6574	3.6574	5.3917	4.5749	4.5749
H6	1.0990	2.1162	2.7213	4.0985	1.7879		1.7872	3.0772	2.5081	4.8169	4.2641	4.6207
H7	1.0990	2.1162	2.7213	4.0985	1.7879	1.7872		2.5081	3.0772	4.8169	4.6207	4.2641
H8	2.6847	2.1026	1.1011	2.1769	3.6574	3.0772	2.5081		1.7785	2.5236	3.0805	2.5173
H9	2.6847	2.1026	1.1011	2.1769	3.6574	2.5081	3.0772	1.7785		2.5236	2.5173	3.0805
H10	4.5736	3.3642	2.1647	1.0953	5.3917	4.8169	4.8169	2.5236	2.5236		1.7790	1.7790
H11	4.0112	2.6429	2.1578	1.0934	4.5749	4.2641	4.6207	3.0805	2.5173	1.7790		1.7727
H12	4.0112	2.6429	2.1578	1.0934	4.5749	4.6207	4.2641	2.5173	3.0805	1.7790	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	113.293	O2	C1	H5	106.162
O2	C1	H6	111.374	O2	C1	H7	111.374
O2	C3	C4	107.256	O2	C3	H8	109.687
O2	C3	H9	109.687	C3	C4	H10	110.612
C3	C4	H11	110.182	C3	C4	H12	110.182
C4	C3	H8	111.241	C4	C3	H9	111.241
H5	C1	H6	109.539	H5	C1	H7	109.539
H6	C1	H7	108.810	H8	C3	H9	107.727
H10	C4	H11	108.746	H10	C4	H12	108.746
H11	C4	H12	108.319

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

using model chemistry: B2PLYP/6-31G

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	-0.144
2	O	-0.546
3	C	0.003
4	C	-0.411
5	H	0.160
6	H	0.127
7	H	0.127
8	H	0.122
9	H	0.122
10	H	0.131
11	H	0.155
12	H	0.155

	x	y	z
x	5.620	0.748	0.000
y	0.748	5.909	0.000
z	0.000	0.000	4.870

<r²>	106.025
(<r²>)^1/2	10.297

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

using model chemistry: B2PLYP/6-31G

States and conformations

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