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	hartrees
Energy at 0K	-193.291479
Energy at 298.15K	-193.300333
HF Energy	-193.291479
Nuclear repulsion energy	131.358744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3129	3022	27.80
2	A'	3126	3018	30.78
3	A'	3059	2954	15.61
4	A'	2982	2879	77.89
5	A'	2971	2869	24.38
6	A'	1593	1539	0.49
7	A'	1579	1525	4.31
8	A'	1569	1515	11.79
9	A'	1503	1452	1.57
10	A'	1455	1405	10.49
11	A'	1412	1363	31.84
12	A'	1209	1168	18.42
13	A'	1115	1077	6.40
14	A'	1083	1046	104.64
15	A'	989	955	6.48
16	A'	833	805	9.11
17	A'	442	426	1.19
18	A'	266	257	3.97
19	A"	3137	3029	29.40
20	A"	3017	2913	76.43
21	A"	3001	2898	72.39
22	A"	1553	1499	12.00
23	A"	1552	1499	0.09
24	A"	1315	1270	0.02
25	A"	1189	1148	6.82
26	A"	1145	1106	0.14
27	A"	854	825	1.36
28	A"	256	247	2.95
29	A"	208	201	0.30
30	A"	110	107	4.46

Atom	x (Å)	y (Å)	z (Å)
C1	1.369	1.236	0.000
O2	0.000	0.725	0.000
C3	-0.003	-0.741	0.000
C4	-1.477	-1.154	0.000
H5	1.284	2.326	0.000
H6	1.928	0.913	0.894
H7	1.928	0.913	-0.894
H8	0.516	-1.130	-0.892
H9	0.516	-1.130	0.892
H10	-1.574	-2.246	0.000
H11	-1.968	-0.746	0.889
H12	-1.968	-0.746	-0.889

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4616	2.4065	3.7169	1.0930	1.1021	1.1021	2.6689	2.6689	4.5599	3.9826	3.9826
O2	1.4616		1.4665	2.3906	2.0518	2.1333	2.1333	2.1223	2.1223	3.3630	2.6136	2.6136
C3	2.4065	1.4665		1.5312	3.3257	2.6949	2.6949	1.1026	1.1026	2.1763	2.1577	2.1577
C4	3.7169	2.3906	1.5312		4.4423	4.0825	4.0825	2.1832	2.1832	1.0962	1.0950	1.0950
H5	1.0930	2.0518	3.3257	4.4423		1.7911	1.7911	3.6508	3.6508	5.3920	4.5613	4.5613
H6	1.1021	2.1333	2.6949	4.0825	1.7911		1.7875	3.0594	2.4839	4.8008	4.2350	4.5950
H7	1.1021	2.1333	2.6949	4.0825	1.7911	1.7875		2.4839	3.0594	4.8008	4.5950	4.2350
H8	2.6689	2.1223	1.1026	2.1832	3.6508	3.0594	2.4839		1.7847	2.5318	3.0808	2.5134
H9	2.6689	2.1223	1.1026	2.1832	3.6508	2.4839	3.0594	1.7847		2.5318	2.5134	3.0808
H10	4.5599	3.3630	2.1763	1.0962	5.3920	4.8008	4.8008	2.5318	2.5318		1.7879	1.7879
H11	3.9826	2.6136	2.1577	1.0950	4.5613	4.2350	4.5950	3.0808	2.5134	1.7879		1.7784
H12	3.9826	2.6136	2.1577	1.0950	4.5613	4.5950	4.2350	2.5134	3.0808	1.7879	1.7784

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	110.545	O2	C1	H5	105.966
O2	C1	H6	111.868	O2	C1	H7	111.868
O2	C3	C4	105.757	O2	C3	H8	110.597
O2	C3	H9	110.597	C3	C4	H10	110.759
C3	C4	H11	109.367	C3	C4	H12	109.367
C4	C3	H8	110.929	C4	C3	H9	110.929
H5	C1	H6	109.356	H5	C1	H7	109.356
H6	C1	H7	108.372	H8	C3	H9	108.053
H10	C4	H11	109.360	H10	C4	H12	109.360
H11	C4	H12	108.594

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

using model chemistry: TPSSh/3-21G*

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	-0.345
2	O	-0.479
3	C	-0.155
4	C	-0.607
5	H	0.216
6	H	0.182
7	H	0.182
8	H	0.187
9	H	0.187
10	H	0.195
11	H	0.219
12	H	0.219

	x	y	z	Total
	1.152	-0.799	0.000	1.402
CHELPG
AIM
ESP

	x	y	z
x	5.594	0.837	0.000
y	0.837	5.730	0.000
z	0.000	0.000	4.709

<r²>	105.362
(<r²>)^1/2	10.265

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

using model chemistry: TPSSh/3-21G*

States and conformations

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