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	hartrees
Energy at 0K	-193.720157
Energy at 298.15K	-193.729177
HF Energy	-193.103033
Nuclear repulsion energy	133.375296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	2989	32.18
2	A'	3157	2981	26.35
3	A'	3080	2908	15.16
4	A'	3023	2855	65.92
5	A'	3004	2837	33.94
6	A'	1588	1500	0.81
7	A'	1558	1471	5.43
8	A'	1551	1465	4.11
9	A'	1523	1438	0.07
10	A'	1479	1397	37.58
11	A'	1439	1359	9.45
12	A'	1273	1202	52.37
13	A'	1200	1133	109.49
14	A'	1148	1084	3.85
15	A'	1069	1009	16.81
16	A'	896	846	11.09
17	A'	479	453	0.77
18	A'	297	280	3.14
19	A"	3167	2990	26.90
20	A"	3074	2903	62.78
21	A"	3036	2866	64.39
22	A"	1539	1453	5.41
23	A"	1535	1450	3.76
24	A"	1328	1254	0.94
25	A"	1235	1166	10.29
26	A"	1195	1128	0.02
27	A"	846	798	0.15
28	A"	275	259	2.54
29	A"	219	207	1.84
30	A"	115	109	3.02

Atom	x (Å)	y (Å)	z (Å)
C1	-1.326	-1.232	0.000
O2	-0.010	-0.712	0.000
C3	0.000	0.707	0.000
C4	1.446	1.165	0.000
H5	-1.240	-2.322	0.000
H6	-1.886	-0.913	0.894
H7	-1.886	-0.913	-0.894
H8	-0.532	1.090	-0.889
H9	-0.532	1.090	0.889
H10	1.505	2.260	0.000
H11	1.962	0.785	0.888
H12	1.962	0.785	-0.888

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4149	2.3484	3.6641	1.0937	1.1020	1.1020	2.6095	2.6095	4.4945	3.9579	3.9579
O2	1.4149		1.4193	2.3754	2.0256	2.0880	2.0880	2.0763	2.0763	3.3358	2.6303	2.6303
C3	2.3484	1.4193		1.5169	3.2725	2.6420	2.6420	1.1043	1.1043	2.1623	2.1553	2.1553
C4	3.6641	2.3754	1.5169		4.4010	4.0273	4.0273	2.1697	2.1697	1.0968	1.0953	1.0953
H5	1.0937	2.0256	3.2725	4.4010		1.7891	1.7891	3.5960	3.5960	5.3407	4.5488	4.5488
H6	1.1020	2.0880	2.6420	4.0273	1.7891		1.7886	3.0043	2.4179	4.7289	4.2058	4.5680
H7	1.1020	2.0880	2.6420	4.0273	1.7891	1.7886		2.4179	3.0043	4.7289	4.5680	4.2058
H8	2.6095	2.0763	1.1043	2.1697	3.5960	3.0043	2.4179		1.7778	2.5110	3.0774	2.5123
H9	2.6095	2.0763	1.1043	2.1697	3.5960	2.4179	3.0043	1.7778		2.5110	2.5123	3.0774
H10	4.4945	3.3358	2.1623	1.0968	5.3407	4.7289	4.7289	2.5110	2.5110		1.7817	1.7817
H11	3.9579	2.6303	2.1553	1.0953	4.5488	4.2058	4.5680	3.0774	2.5123	1.7817		1.7768
H12	3.9579	2.6303	2.1553	1.0953	4.5488	4.5680	4.2058	2.5123	3.0774	1.7817	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.909	O2	C1	H5	107.005
O2	C1	H6	111.510	O2	C1	H7	111.510
O2	C3	C4	107.953	O2	C3	H8	110.097
O2	C3	H9	110.097	C3	C4	H10	110.619
C3	C4	H11	110.146	C3	C4	H12	110.146
C4	C3	H8	110.751	C4	C3	H9	110.751
H5	C1	H6	109.137	H5	C1	H7	109.137
H6	C1	H7	108.492	H8	C3	H9	107.206
H10	C4	H11	108.735	H10	C4	H12	108.735
H11	C4	H12	108.406

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

using model chemistry: CCSD/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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All results from a given calculation for CH3OC2H5 (Ethane, methoxy-)

using model chemistry: CCSD/6-31G*

States and conformations

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