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	hartrees
Energy at 0K	-194.212240
Energy at 298.15K	-194.221225
HF Energy	-193.974453
Nuclear repulsion energy	133.673654

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3146	3146	32.29
2	A'	3139	3139	28.99
3	A'	3064	3064	18.05
4	A'	2996	2996	89.90
5	A'	2980	2980	37.85
6	A'	1550	1550	1.60
7	A'	1524	1524	4.23
8	A'	1518	1518	6.75
9	A'	1494	1494	0.03
10	A'	1446	1446	37.59
11	A'	1412	1412	1.59
12	A'	1249	1249	39.28
13	A'	1169	1169	143.31
14	A'	1129	1129	4.72
15	A'	1043	1043	17.17
16	A'	878	878	13.25
17	A'	470	470	0.57
18	A'	290	290	2.60
19	A"	3146	3146	31.13
20	A"	3041	3041	69.03
21	A"	3010	3010	75.31
22	A"	1498	1498	9.73
23	A"	1497	1497	2.95
24	A"	1313	1313	2.07
25	A"	1213	1213	10.68
26	A"	1178	1178	0.00
27	A"	836	836	0.11
28	A"	268	268	2.21
29	A"	213	213	1.39
30	A"	112	112	2.65

Atom	x (Å)	y (Å)	z (Å)
C1	1.320	1.234	0.000
O2	0.011	0.711	0.000
C3	0.000	-0.704	0.000
C4	-1.442	-1.169	0.000
H5	1.235	2.320	0.000
H6	1.881	0.920	0.891
H7	1.881	0.920	-0.891
H8	0.529	-1.085	-0.886
H9	0.529	-1.085	0.886
H10	-1.493	-2.260	0.000
H11	-1.959	-0.795	0.885
H12	-1.959	-0.795	-0.885

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4097	2.3450	3.6615	1.0892	1.0987	1.0987	2.6057	2.6057	4.4863	3.9566	3.9566
O2	1.4097		1.4150	2.3764	2.0217	2.0819	2.0819	2.0688	2.0688	3.3305	2.6331	2.6331
C3	2.3450	1.4150		1.5154	3.2666	2.6400	2.6400	1.1005	1.1005	2.1569	2.1518	2.1518
C4	3.6615	2.3764	1.5154		4.3981	4.0252	4.0252	2.1632	2.1632	1.0922	1.0910	1.0910
H5	1.0892	2.0217	3.2666	4.3981		1.7808	1.7808	3.5887	3.5887	5.3315	4.5487	4.5487
H6	1.0987	2.0819	2.6400	4.0252	1.7808		1.7820	3.0011	2.4181	4.7217	4.2059	4.5654
H7	1.0987	2.0819	2.6400	4.0252	1.7808	1.7820		2.4181	3.0011	4.7217	4.5654	4.2059
H8	2.6057	2.0688	1.1005	2.1632	3.5887	3.0011	2.4181		1.7728	2.5016	3.0683	2.5055
H9	2.6057	2.0688	1.1005	2.1632	3.5887	2.4181	3.0011	1.7728		2.5016	2.5055	3.0683
H10	4.4863	3.3305	2.1569	1.0922	5.3315	4.7217	4.7217	2.5016	2.5016		1.7740	1.7740
H11	3.9566	2.6331	2.1518	1.0910	4.5487	4.2059	4.5654	3.0683	2.5055	1.7740		1.7694
H12	3.9566	2.6331	2.1518	1.0910	4.5487	4.5654	4.2059	2.5055	3.0683	1.7740	1.7694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.235	O2	C1	H5	107.314
O2	C1	H6	111.588	O2	C1	H7	111.588
O2	C3	C4	108.328	O2	C3	H8	110.028
O2	C3	H9	110.028	C3	C4	H10	110.567
C3	C4	H11	110.231	C3	C4	H12	110.231
C4	C3	H8	110.573	C4	C3	H9	110.573
H5	C1	H6	108.959	H5	C1	H7	108.959
H6	C1	H7	108.372	H8	C3	H9	107.315
H10	C4	H11	108.693	H10	C4	H12	108.693
H11	C4	H12	108.369

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

using model chemistry: B2PLYP=FULL/6-311G**

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/6-311G**

States and conformations

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