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	hartrees
Energy at 0K	-193.941862
Energy at 298.15K	-193.950866
HF Energy	-193.174511
Nuclear repulsion energy	134.107210

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	2978	30.32
2	A'	3178	2968	27.60
3	A'	3098	2893	16.46
4	A'	3045	2843	78.09
5	A'	3031	2830	32.85
6	A'	1574	1470	0.92
7	A'	1545	1443	7.56
8	A'	1534	1433	2.25
9	A'	1525	1424	0.91
10	A'	1479	1381	38.56
11	A'	1436	1341	2.18
12	A'	1287	1202	49.89
13	A'	1212	1132	123.16
14	A'	1148	1072	3.96
15	A'	1074	1003	17.64
16	A'	901	841	11.55
17	A'	482	450	0.57
18	A'	298	279	2.57
19	A"	3186	2975	28.98
20	A"	3098	2892	56.77
21	A"	3065	2861	61.67
22	A"	1516	1415	6.12
23	A"	1508	1408	4.14
24	A"	1329	1241	2.93
25	A"	1237	1155	10.55
26	A"	1199	1120	0.00
27	A"	844	788	0.00
28	A"	262	245	2.31
29	A"	212	198	2.09
30	A"	97	91	2.43

Atom	x (Å)	y (Å)	z (Å)
C1	1.315	1.228	0.000
O2	0.007	0.716	0.000
C3	0.000	-0.693	0.000
C4	-1.435	-1.174	0.000
H5	1.243	2.312	0.000
H6	1.869	0.908	0.889
H7	1.869	0.908	-0.889
H8	0.529	-1.069	-0.884
H9	0.529	-1.069	0.884
H10	-1.465	-2.263	0.000
H11	-1.955	-0.811	0.884
H12	-1.955	-0.811	-0.884

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4047	2.3278	3.6511	1.0865	1.0950	1.0950	2.5833	2.5833	4.4629	3.9542	3.9542
O2	1.4047		1.4091	2.3772	2.0188	2.0721	2.0721	2.0592	2.0592	3.3233	2.6391	2.6391
C3	2.3278	1.4091		1.5132	3.2520	2.6164	2.6164	1.0969	1.0969	2.1478	2.1493	2.1493
C4	3.6511	2.3772	1.5132		4.3960	4.0048	4.0048	2.1563	2.1563	1.0896	1.0884	1.0884
H5	1.0865	2.0188	3.2520	4.3960		1.7755	1.7755	3.5666	3.5666	5.3169	4.5572	4.5572
H6	1.0950	2.0721	2.6164	4.0048	1.7755		1.7778	2.9743	2.3878	4.6864	4.1929	4.5523
H7	1.0950	2.0721	2.6164	4.0048	1.7755	1.7778		2.3878	2.9743	4.6864	4.5523	4.1929
H8	2.5833	2.0592	1.0969	2.1563	3.5666	2.9743	2.3878		1.7689	2.4873	3.0605	2.4978
H9	2.5833	2.0592	1.0969	2.1563	3.5666	2.3878	2.9743	1.7689		2.4873	2.4978	3.0605
H10	4.4629	3.3233	2.1478	1.0896	5.3169	4.6864	4.6864	2.4873	2.4873		1.7693	1.7693
H11	3.9542	2.6391	2.1493	1.0884	4.5572	4.1929	4.5523	3.0605	2.4978	1.7693		1.7682
H12	3.9542	2.6391	2.1493	1.0884	4.5572	4.5523	4.1929	2.4978	3.0605	1.7693	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.636	O2	C1	H5	107.576
O2	C1	H6	111.380	O2	C1	H7	111.380
O2	C3	C4	108.818	O2	C3	H8	109.883
O2	C3	H9	109.883	C3	C4	H10	110.147
C3	C4	H11	110.340	C3	C4	H12	110.340
C4	C3	H8	110.389	C4	C3	H9	110.389
H5	C1	H6	108.953	H5	C1	H7	108.953
H6	C1	H7	108.542	H8	C3	H9	107.471
H10	C4	H11	108.656	H10	C4	H12	108.656
H11	C4	H12	108.651

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

using model chemistry: MP3=FULL/TZVP

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

using model chemistry: MP3=FULL/TZVP

States and conformations

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