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	hartrees
Energy at 0K	-193.019564
Energy at 298.15K	-193.028640
HF Energy	-193.019564
Nuclear repulsion energy	133.081519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3318	2996	34.97
2	A'	3272	2954	40.87
3	A'	3201	2890	23.51
4	A'	3175	2866	77.47
5	A'	3160	2853	30.16
6	A'	1694	1529	1.23
7	A'	1667	1505	7.03
8	A'	1658	1497	6.34
9	A'	1630	1471	0.08
10	A'	1582	1428	16.63
11	A'	1558	1407	24.91
12	A'	1342	1212	48.98
13	A'	1240	1120	105.28
14	A'	1218	1100	51.57
15	A'	1101	994	12.27
16	A'	917	828	16.89
17	A'	486	439	1.35
18	A'	295	266	4.96
19	A"	3290	2971	43.83
20	A"	3229	2916	82.18
21	A"	3195	2885	59.09
22	A"	1656	1495	7.54
23	A"	1642	1482	4.74
24	A"	1426	1288	0.77
25	A"	1308	1181	15.29
26	A"	1269	1146	0.29
27	A"	915	826	0.26
28	A"	266	240	3.42
29	A"	201	181	4.09
30	A"	111	100	6.60

Atom	x (Å)	y (Å)	z (Å)
C1	1.257	1.351	0.000
O2	0.000	0.684	0.000
C3	0.036	-0.744	0.000
C4	-1.394	-1.241	0.000
H5	1.049	2.409	0.000
H6	1.835	1.099	0.883
H7	1.835	1.099	-0.883
H8	0.572	-1.096	-0.878
H9	0.572	-1.096	0.878
H10	-1.425	-2.325	0.000
H11	-1.915	-0.879	0.877
H12	-1.915	-0.879	-0.877

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4230	2.4254	3.7076	1.0777	1.0854	1.0854	2.6891	2.6891	4.5503	3.9755	3.9755
O2	1.4230		1.4290	2.3766	2.0187	2.0783	2.0783	2.0657	2.0657	3.3292	2.6229	2.6229
C3	2.4254	1.4290		1.5139	3.3119	2.7227	2.7227	1.0870	1.0870	2.1523	2.1436	2.1436
C4	3.7076	2.3766	1.5139		4.3918	4.0841	4.0841	2.1577	2.1577	1.0844	1.0822	1.0822
H5	1.0777	2.0187	3.3119	4.3918		1.7647	1.7647	3.6447	3.6447	5.3411	4.5127	4.5127
H6	1.0854	2.0783	2.7227	4.0841	1.7647		1.7664	3.0849	2.5326	4.8091	4.2399	4.5905
H7	1.0854	2.0783	2.7227	4.0841	1.7647	1.7664		2.5326	3.0849	4.8091	4.5905	4.2399
H8	2.6891	2.0657	1.0870	2.1577	3.6447	3.0849	2.5326		1.7565	2.5033	3.0514	2.4963
H9	2.6891	2.0657	1.0870	2.1577	3.6447	2.5326	3.0849	1.7565		2.5033	2.4963	3.0514
H10	4.5503	3.3292	2.1523	1.0844	5.3411	4.8091	4.8091	2.5033	2.5033		1.7605	1.7605
H11	3.9755	2.6229	2.1436	1.0822	4.5127	4.2399	4.5905	3.0514	2.4963	1.7605		1.7531
H12	3.9755	2.6229	2.1436	1.0822	4.5127	4.5905	4.2399	2.4963	3.0514	1.7605	1.7531

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	116.515	O2	C1	H5	106.847
O2	C1	H6	111.184	O2	C1	H7	111.184
O2	C3	C4	107.688	O2	C3	H8	109.628
O2	C3	H9	109.628	C3	C4	H10	110.771
C3	C4	H11	110.211	C3	C4	H12	110.211
C4	C3	H8	111.050	C4	C3	H9	111.050
H5	C1	H6	109.334	H5	C1	H7	109.334
H6	C1	H7	108.916	H8	C3	H9	107.793
H10	C4	H11	108.697	H10	C4	H12	108.697
H11	C4	H12	108.190

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

using model chemistry: HF/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	-0.107
2	O	-0.706
3	C	0.044
4	C	-0.451
5	H	0.178
6	H	0.138
7	H	0.138
8	H	0.139
9	H	0.139
10	H	0.144
11	H	0.172
12	H	0.172

	x	y	z	Total
	1.558	-0.910	0.000	1.804
CHELPG
AIM
ESP

	x	y	z
x	5.216	0.599	0.000
y	0.599	5.613	0.000
z	0.000	0.000	4.725

<r²>	104.566
(<r²>)^1/2	10.226

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

using model chemistry: HF/6-31G

States and conformations

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