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	hartrees
Energy at 0K	-191.560122
Energy at 298.15K	-191.568883
HF Energy	-191.491434
Nuclear repulsion energy	130.671418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3534	3534	1.08
2	A'	3483	3483	2.54
3	A'	3359	3359	0.89
4	A'	3288	3288	13.79
5	A'	3273	3273	15.04
6	A'	1721	1721	1.04
7	A'	1707	1707	2.29
8	A'	1700	1700	4.65
9	A'	1621	1621	5.01
10	A'	1596	1596	4.22
11	A'	1525	1525	41.64
12	A'	1321	1321	7.89
13	A'	1243	1243	12.42
14	A'	1182	1182	3.11
15	A'	1111	1111	2.11
16	A'	944	944	0.19
17	A'	495	495	0.25
18	A'	301	301	1.40
19	A"	3537	3537	1.33
20	A"	3419	3419	12.17
21	A"	3389	3389	19.40
22	A"	1699	1699	1.82
23	A"	1680	1680	3.02
24	A"	1393	1393	0.07
25	A"	1245	1245	9.43
26	A"	1205	1205	0.63
27	A"	889	889	0.83
28	A"	258	258	1.79
29	A"	196	196	0.00
30	A"	125	125	1.89

Atom	x (Å)	y (Å)	z (Å)
C1	1.373	1.217	0.000
O2	-0.019	0.767	0.000
C3	0.000	-0.701	0.000
C4	-1.475	-1.193	0.000
H5	1.353	2.322	0.000
H6	1.929	0.872	0.898
H7	1.929	0.872	-0.898
H8	0.531	-1.095	-0.896
H9	0.531	-1.095	0.896
H10	-1.506	-2.293	0.000
H11	-2.001	-0.825	0.893
H12	-2.001	-0.825	-0.893

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4629	2.3589	3.7310	1.1054	1.1110	1.1110	2.6186	2.6186	4.5394	4.0428	4.0428
O2	1.4629		1.4680	2.4416	2.0744	2.1477	2.1477	2.1382	2.1382	3.4015	2.6936	2.6936
C3	2.3589	1.4680		1.5551	3.3125	2.6466	2.6466	1.1137	1.1137	2.1911	2.1942	2.1942
C4	3.7310	2.4416	1.5551		4.5120	4.0820	4.0820	2.1996	2.1996	1.0998	1.0994	1.0994
H5	1.1054	2.0744	3.3125	4.5120		1.7997	1.7997	3.6273	3.6273	5.4289	4.6849	4.6849
H6	1.1110	2.1477	2.6466	4.0820	1.7997		1.7959	3.0075	2.4137	4.7567	4.2805	4.6399
H7	1.1110	2.1477	2.6466	4.0820	1.7997	1.7959		2.4137	3.0075	4.7567	4.6399	4.2805
H8	2.6186	2.1382	1.1137	2.1996	3.6273	3.0075	2.4137		1.7924	2.5275	3.1118	2.5462
H9	2.6186	2.1382	1.1137	2.1996	3.6273	2.4137	3.0075	1.7924		2.5275	2.5462	3.1118
H10	4.5394	3.4015	2.1911	1.0998	5.4289	4.7567	4.7567	2.5275	2.5275		1.7878	1.7878
H11	4.0428	2.6936	2.1942	1.0994	4.6849	4.2805	4.6399	3.1118	2.5462	1.7878		1.7853
H12	4.0428	2.6936	2.1942	1.0994	4.6849	4.6399	4.2805	2.5462	3.1118	1.7878	1.7853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	107.187	O2	C1	H5	106.922
O2	C1	H6	112.391	O2	C1	H7	112.391
O2	C3	C4	107.697	O2	C3	H8	111.086
O2	C3	H9	111.086	C3	C4	H10	110.060
C3	C4	H11	110.322	C3	C4	H12	110.322
C4	C3	H8	109.913	C4	C3	H9	109.913
H5	C1	H6	108.587	H5	C1	H7	108.587
H6	C1	H7	107.847	H8	C3	H9	107.157
H10	C4	H11	108.761	H10	C4	H12	108.761
H11	C4	H12	108.571

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

using model chemistry: B2PLYP=FULL/STO-3G

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: B2PLYP=FULL/STO-3G

States and conformations

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