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	hartrees
Energy at 0K	-193.927069
Energy at 298.15K	-193.936130
HF Energy	-193.128707
Nuclear repulsion energy	134.310162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3190	3004	20.08
2	A'	3181	2995	25.59
3	A'	3108	2926	12.20
4	A'	3047	2869	60.64
5	A'	3031	2854	29.22
6	A'	1578	1486	1.27
7	A'	1556	1465	5.37
8	A'	1547	1456	3.19
9	A'	1521	1432	0.10
10	A'	1470	1385	37.12
11	A'	1433	1350	3.35
12	A'	1283	1208	58.32
13	A'	1216	1145	108.01
14	A'	1147	1080	4.43
15	A'	1078	1015	15.32
16	A'	901	848	8.38
17	A'	480	452	0.65
18	A'	296	278	2.71
19	A"	3197	3010	20.24
20	A"	3099	2918	49.98
21	A"	3064	2885	54.02
22	A"	1537	1447	6.00
23	A"	1530	1441	3.39
24	A"	1339	1261	1.65
25	A"	1236	1163	9.12
26	A"	1203	1132	0.13
27	A"	842	793	0.25
28	A"	274	258	2.33
29	A"	223	210	1.02
30	A"	120	113	2.58

Atom	x (Å)	y (Å)	z (Å)
C1	1.274	1.259	0.000
O2	0.000	0.698	0.000
C3	0.023	-0.711	0.000
C4	-1.407	-1.179	0.000
H5	1.147	2.340	0.000
H6	1.852	0.973	0.888
H7	1.852	0.973	-0.888
H8	0.550	-1.095	-0.883
H9	0.550	-1.095	0.883
H10	-1.447	-2.271	0.000
H11	-1.922	-0.812	0.885
H12	-1.922	-0.812	-0.885

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3921	2.3335	3.6236	1.0890	1.0971	1.0971	2.6164	2.6164	4.4567	3.9102	3.9102
O2	1.3921		1.4093	2.3460	2.0026	2.0723	2.0723	2.0733	2.0733	3.3028	2.6000	2.6000
C3	2.3335	1.4093		1.5041	3.2514	2.6405	2.6405	1.0976	1.0976	2.1433	2.1394	2.1394
C4	3.6236	2.3460	1.5041		4.3479	4.0053	4.0053	2.1479	2.1479	1.0921	1.0884	1.0884
H5	1.0890	2.0026	3.2514	4.3479		1.7760	1.7760	3.5970	3.5970	5.2902	4.4875	4.4875
H6	1.0971	2.0723	2.6405	4.0053	1.7760		1.7757	3.0185	2.4447	4.7115	4.1755	4.5364
H7	1.0971	2.0723	2.6405	4.0053	1.7760	1.7757		2.4447	3.0185	4.7115	4.5364	4.1755
H8	2.6164	2.0733	1.0976	2.1479	3.5970	3.0185	2.4447		1.7655	2.4795	3.0524	2.4881
H9	2.6164	2.0733	1.0976	2.1479	3.5970	2.4447	3.0185	1.7655		2.4795	2.4881	3.0524
H10	4.4567	3.3028	2.1433	1.0921	5.2902	4.7115	4.7115	2.4795	2.4795		1.7711	1.7711
H11	3.9102	2.6000	2.1394	1.0884	4.4875	4.1755	4.5364	3.0524	2.4881	1.7711		1.7707
H12	3.9102	2.6000	2.1394	1.0884	4.4875	4.5364	4.1755	2.4881	3.0524	1.7711	1.7707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.817	O2	C1	H5	107.002
O2	C1	H6	112.180	O2	C1	H7	112.180
O2	C3	C4	107.220	O2	C3	H8	110.977
O2	C3	H9	110.977	C3	C4	H10	110.273
C3	C4	H11	110.194	C3	C4	H12	110.194
C4	C3	H8	110.313	C4	C3	H9	110.313
H5	C1	H6	108.661	H5	C1	H7	108.661
H6	C1	H7	108.055	H8	C3	H9	107.073
H10	C4	H11	108.632	H10	C4	H12	108.632
H11	C4	H12	108.872

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

using model chemistry: CCSD=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

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