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	hartrees
Energy at 0K	-193.859216
Energy at 298.15K	-193.868224
HF Energy	-193.157050
Nuclear repulsion energy	133.782581

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3016	33.14
2	A'	3153	3011	28.16
3	A'	3071	2933	16.60
4	A'	3017	2881	79.00
5	A'	3003	2868	30.96
6	A'	1567	1497	1.22
7	A'	1538	1469	7.38
8	A'	1529	1460	2.65
9	A'	1512	1444	0.12
10	A'	1470	1404	42.28
11	A'	1425	1361	2.22
12	A'	1277	1220	61.30
13	A'	1212	1157	110.25
14	A'	1141	1090	3.33
15	A'	1071	1023	16.74
16	A'	900	859	10.57
17	A'	478	456	0.61
18	A'	296	282	2.47
19	A"	3158	3016	30.43
20	A"	3067	2929	64.99
21	A"	3037	2900	63.71
22	A"	1511	1443	6.06
23	A"	1506	1439	3.97
24	A"	1327	1267	2.91
25	A"	1230	1175	11.71
26	A"	1194	1140	0.01
27	A"	839	801	0.00
28	A"	269	257	2.31
29	A"	212	203	1.91
30	A"	103	98	2.26

Atom	x (Å)	y (Å)	z (Å)
C1	1.323	1.221	0.000
O2	0.012	0.714	0.000
C3	0.000	-0.696	0.000
C4	-1.447	-1.163	0.000
H5	1.251	2.311	0.000
H6	1.880	0.899	0.893
H7	1.880	0.899	-0.893
H8	0.528	-1.080	-0.889
H9	0.528	-1.080	0.889
H10	-1.496	-2.257	0.000
H11	-1.963	-0.786	0.888
H12	-1.963	-0.786	-0.888

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4060	2.3296	3.6544	1.0923	1.1010	1.1010	2.5916	2.5916	4.4768	3.9522	3.9522
O2	1.4060		1.4099	2.3765	2.0219	2.0793	2.0793	2.0670	2.0670	3.3311	2.6344	2.6344
C3	2.3296	1.4099		1.5201	3.2573	2.6228	2.6228	1.1028	1.1028	2.1615	2.1568	2.1568
C4	3.6544	2.3765	1.5201		4.3984	4.0148	4.0148	2.1672	2.1672	1.0953	1.0942	1.0942
H5	1.0923	2.0219	3.2573	4.3984		1.7853	1.7853	3.5793	3.5793	5.3302	4.5515	4.5515
H6	1.1010	2.0793	2.6228	4.0148	1.7853		1.7869	2.9870	2.3968	4.7069	4.1970	4.5594
H7	1.1010	2.0793	2.6228	4.0148	1.7853	1.7869		2.3968	2.9870	4.7069	4.5594	4.1970
H8	2.5916	2.0670	1.1028	2.1672	3.5793	2.9870	2.3968		1.7779	2.5041	3.0743	2.5087
H9	2.5916	2.0670	1.1028	2.1672	3.5793	2.3968	2.9870	1.7779		2.5041	2.5087	3.0743
H10	4.4768	3.3311	2.1615	1.0953	5.3302	4.7069	4.7069	2.5041	2.5041		1.7806	1.7806
H11	3.9522	2.6344	2.1568	1.0942	4.5515	4.1970	4.5594	3.0743	2.5087	1.7806		1.7760
H12	3.9522	2.6344	2.1568	1.0942	4.5515	4.5594	4.1970	2.5087	3.0743	1.7806	1.7760

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.645	O2	C1	H5	107.385
O2	C1	H6	111.488	O2	C1	H7	111.488
O2	C3	C4	108.352	O2	C3	H8	110.102
O2	C3	H9	110.102	C3	C4	H10	110.421
C3	C4	H11	110.115	C3	C4	H12	110.115
C4	C3	H8	110.426	C4	C3	H9	110.426
H5	C1	H6	108.970	H5	C1	H7	108.970
H6	C1	H7	108.481	H8	C3	H9	107.437
H10	C4	H11	108.823	H10	C4	H12	108.823
H11	C4	H12	108.497

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

using model chemistry: CCD/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: CCD/6-311G**

States and conformations

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