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	hartrees
Energy at 0K	-193.788769
Energy at 298.15K	-193.797777
HF Energy	-193.117646
Nuclear repulsion energy	133.275824

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3031	26.29
2	A'	3165	3028	31.22
3	A'	3077	2944	16.74
4	A'	3016	2885	76.32
5	A'	2999	2869	33.75
6	A'	1541	1474	0.88
7	A'	1512	1446	7.00
8	A'	1505	1439	2.26
9	A'	1489	1424	0.11
10	A'	1449	1386	47.37
11	A'	1401	1341	5.36
12	A'	1264	1209	75.77
13	A'	1208	1156	99.33
14	A'	1127	1078	2.82
15	A'	1072	1026	17.16
16	A'	893	855	9.85
17	A'	476	455	0.70
18	A'	293	280	2.42
19	A"	3172	3034	26.13
20	A"	3073	2940	65.05
21	A"	3037	2906	71.66
22	A"	1490	1426	5.14
23	A"	1484	1419	3.92
24	A"	1307	1250	2.26
25	A"	1212	1160	11.83
26	A"	1177	1126	0.01
27	A"	827	791	0.02
28	A"	272	260	2.39
29	A"	215	206	1.49
30	A"	112	107	2.25

Atom	x (Å)	y (Å)	z (Å)
C1	1.324	1.224	0.000
O2	0.012	0.714	0.000
C3	0.000	-0.699	0.000
C4	-1.450	-1.163	0.000
H5	1.255	2.324	0.000
H6	1.892	0.902	0.899
H7	1.892	0.902	-0.899
H8	0.534	-1.090	-0.894
H9	0.534	-1.090	0.894
H10	-1.504	-2.266	0.000
H11	-1.972	-0.782	0.895
H12	-1.972	-0.782	-0.895

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4082	2.3348	3.6599	1.1019	1.1107	1.1107	2.6035	2.6035	4.4921	3.9610	3.9610
O2	1.4082		1.4129	2.3792	2.0336	2.0923	2.0923	2.0800	2.0800	3.3433	2.6408	2.6408
C3	2.3348	1.4129		1.5225	3.2726	2.6360	2.6360	1.1126	1.1126	2.1721	2.1669	2.1669
C4	3.6599	2.3792	1.5225		4.4128	4.0297	4.0297	2.1774	2.1774	1.1041	1.1035	1.1035
H5	1.1019	2.0336	3.2726	4.4128		1.7989	1.7989	3.6016	3.6016	5.3549	4.5669	4.5669
H6	1.1107	2.0923	2.6360	4.0297	1.7989		1.7976	3.0042	2.4103	4.7301	4.2146	4.5803
H7	1.1107	2.0923	2.6360	4.0297	1.7989	1.7976		2.4103	3.0042	4.7301	4.5803	4.2146
H8	2.6035	2.0800	1.1126	2.1774	3.6016	3.0042	2.4103		1.7888	2.5173	3.0942	2.5246
H9	2.6035	2.0800	1.1126	2.1774	3.6016	2.4103	3.0042	1.7888		2.5173	2.5246	3.0942
H10	4.4921	3.3433	2.1721	1.1041	5.3549	4.7301	4.7301	2.5173	2.5173		1.7946	1.7946
H11	3.9610	2.6408	2.1669	1.1035	4.5669	4.2146	4.5803	3.0942	2.5246	1.7946		1.7892
H12	3.9610	2.6408	2.1669	1.1035	4.5669	4.5803	4.2146	2.5246	3.0942	1.7946	1.7892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.709	O2	C1	H5	107.600
O2	C1	H6	111.785	O2	C1	H7	111.785
O2	C3	C4	108.235	O2	C3	H8	110.327
O2	C3	H9	110.327	C3	C4	H10	110.568
C3	C4	H11	110.187	C3	C4	H12	110.187
C4	C3	H8	110.481	C4	C3	H9	110.481
H5	C1	H6	108.780	H5	C1	H7	108.780
H6	C1	H7	108.036	H8	C3	H9	107.000
H10	C4	H11	108.762	H10	C4	H12	108.762
H11	C4	H12	108.320

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

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

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