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	hartrees
Energy at 0K	-193.787606
Energy at 298.15K	-193.796632
HF Energy	-193.116271
Nuclear repulsion energy	133.618196

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3204	3016	36.04
2	A'	3199	3012	28.07
3	A'	3115	2933	16.55
4	A'	3056	2877	73.82
5	A'	3038	2860	36.01
6	A'	1595	1501	0.56
7	A'	1568	1476	5.33
8	A'	1559	1468	2.91
9	A'	1530	1440	0.45
10	A'	1484	1397	38.87
11	A'	1444	1359	13.93
12	A'	1274	1199	49.94
13	A'	1200	1129	114.66
14	A'	1148	1081	2.81
15	A'	1067	1005	16.09
16	A'	896	844	11.96
17	A'	477	449	0.71
18	A'	295	278	2.73
19	A"	3209	3021	29.72
20	A"	3112	2930	67.28
21	A"	3073	2893	68.78
22	A"	1547	1456	3.98
23	A"	1544	1453	2.48
24	A"	1332	1254	1.20
25	A"	1239	1166	11.03
26	A"	1198	1128	0.11
27	A"	845	795	0.01
28	A"	275	259	2.31
29	A"	218	205	1.78
30	A"	112	106	2.79

Atom	x (Å)	y (Å)	z (Å)
C1	1.324	1.231	0.000
O2	0.009	0.713	0.000
C3	0.000	-0.706	0.000
C4	-1.444	-1.165	0.000
H5	1.242	2.316	0.000
H6	1.882	0.913	0.889
H7	1.882	0.913	-0.889
H8	0.529	-1.087	-0.884
H9	0.529	-1.087	0.884
H10	-1.499	-2.255	0.000
H11	-1.958	-0.789	0.884
H12	-1.958	-0.789	-0.884

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4141	2.3460	3.6615	1.0881	1.0965	1.0965	2.6054	2.6054	4.4854	3.9538	3.9538
O2	1.4141		1.4188	2.3747	2.0222	2.0834	2.0834	2.0724	2.0724	3.3287	2.6274	2.6274
C3	2.3460	1.4188		1.5156	3.2666	2.6367	2.6367	1.0989	1.0989	2.1554	2.1496	2.1496
C4	3.6615	2.3747	1.5156		4.3970	4.0217	4.0217	2.1638	2.1638	1.0908	1.0895	1.0895
H5	1.0881	2.0222	3.2666	4.3970		1.7798	1.7798	3.5876	3.5876	5.3292	4.5450	4.5450
H6	1.0965	2.0834	2.6367	4.0217	1.7798		1.7781	2.9961	2.4149	4.7174	4.1999	4.5589
H7	1.0965	2.0834	2.6367	4.0217	1.7798	1.7781		2.4149	2.9961	4.7174	4.5589	4.1999
H8	2.6054	2.0724	1.0989	2.1638	3.5876	2.9961	2.4149		1.7685	2.5012	3.0660	2.5046
H9	2.6054	2.0724	1.0989	2.1638	3.5876	2.4149	2.9961	1.7685		2.5012	2.5046	3.0660
H10	4.4854	3.3287	2.1554	1.0908	5.3292	4.7174	4.7174	2.5012	2.5012		1.7725	1.7725
H11	3.9538	2.6274	2.1496	1.0895	4.5450	4.1999	4.5589	3.0660	2.5046	1.7725		1.7681
H12	3.9538	2.6274	2.1496	1.0895	4.5450	4.5589	4.1999	2.5046	3.0660	1.7725	1.7681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.811	O2	C1	H5	107.122
O2	C1	H6	111.539	O2	C1	H7	111.539
O2	C3	C4	108.000	O2	C3	H8	110.151
O2	C3	H9	110.151	C3	C4	H10	110.510
C3	C4	H11	110.135	C3	C4	H12	110.135
C4	C3	H8	110.697	C4	C3	H9	110.697
H5	C1	H6	109.117	H5	C1	H7	109.117
H6	C1	H7	108.356	H8	C3	H9	107.157
H10	C4	H11	108.768	H10	C4	H12	108.768
H11	C4	H12	108.475

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

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

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