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	hartrees
Energy at 0K	-193.131374
Energy at 298.15K	-193.140528
HF Energy	-193.131374
Nuclear repulsion energy	134.215642

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3266	2974	45.10
2	A'	3242	2952	45.95
3	A'	3173	2890	23.22
4	A'	3138	2857	108.34
5	A'	3122	2843	30.46
6	A'	1631	1485	2.10
7	A'	1601	1457	5.68
8	A'	1598	1455	2.11
9	A'	1584	1442	0.95
10	A'	1545	1407	37.67
11	A'	1497	1363	3.86
12	A'	1348	1227	72.27
13	A'	1269	1155	168.40
14	A'	1196	1089	7.32
15	A'	1113	1014	17.50
16	A'	936	852	12.64
17	A'	496	451	0.70
18	A'	308	281	2.70
19	A"	3252	2962	51.36
20	A"	3183	2899	82.12
21	A"	3154	2872	53.78
22	A"	1591	1449	7.03
23	A"	1577	1436	4.32
24	A"	1400	1275	2.54
25	A"	1288	1173	11.26
26	A"	1254	1142	0.04
27	A"	875	796	0.03
28	A"	281	256	1.93
29	A"	216	196	2.41
30	A"	114	104	2.72

Atom	x (Å)	y (Å)	z (Å)
C1	1.263	1.291	0.000
O2	0.000	0.699	0.000
C3	0.025	-0.701	0.000
C4	-1.398	-1.221	0.000
H5	1.122	2.369	0.000
H6	1.836	1.009	0.889
H7	1.836	1.009	-0.889
H8	0.563	-1.063	-0.883
H9	0.563	-1.063	0.883
H10	-1.397	-2.313	0.000
H11	-1.932	-0.874	0.884
H12	-1.932	-0.874	-0.884

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3947	2.3453	3.6594	1.0871	1.0946	1.0946	2.6099	2.6099	4.4786	3.9596	3.9596
O2	1.3947		1.4002	2.3751	2.0117	2.0632	2.0632	2.0499	2.0499	3.3195	2.6439	2.6439
C3	2.3453	1.4002		1.5151	3.2599	2.6444	2.6444	1.0958	1.0958	2.1490	2.1548	2.1548
C4	3.6594	2.3751	1.5151		4.3861	4.0276	4.0276	2.1567	2.1567	1.0911	1.0899	1.0899
H5	1.0871	2.0117	3.2599	4.3861		1.7750	1.7750	3.5876	3.5876	5.3158	4.5416	4.5416
H6	1.0946	2.0632	2.6444	4.0276	1.7750		1.7775	3.0087	2.4316	4.7192	4.2126	4.5705
H7	1.0946	2.0632	2.6444	4.0276	1.7750	1.7775		2.4316	3.0087	4.7192	4.5705	4.2126
H8	2.6099	2.0499	1.0958	2.1567	3.5876	3.0087	2.4316		1.7664	2.4865	3.0639	2.5027
H9	2.6099	2.0499	1.0958	2.1567	3.5876	2.4316	3.0087	1.7664		2.4865	2.5027	3.0639
H10	4.4786	3.3195	2.1490	1.0911	5.3158	4.7192	4.7192	2.4865	2.4865		1.7711	1.7711
H11	3.9596	2.6439	2.1548	1.0899	4.5416	4.2126	4.5705	3.0639	2.5027	1.7711		1.7683
H12	3.9596	2.6439	2.1548	1.0899	4.5416	4.5705	4.2126	2.5027	3.0639	1.7711	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.096	O2	C1	H5	107.659
O2	C1	H6	111.388	O2	C1	H7	111.388
O2	C3	C4	109.058	O2	C3	H8	109.825
O2	C3	H9	109.825	C3	C4	H10	110.027
C3	C4	H11	110.559	C3	C4	H12	110.559
C4	C3	H8	110.354	C4	C3	H9	110.354
H5	C1	H6	108.889	H5	C1	H7	108.889
H6	C1	H7	108.569	H8	C3	H9	107.410
H10	C4	H11	108.600	H10	C4	H12	108.600
H11	C4	H12	108.438

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

using model chemistry: HF/aug-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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Number	Element	Mulliken
1	C	0.785
2	O	-0.865
3	C	0.707
4	C	0.223
5	H	-0.266
6	H	-0.072
7	H	-0.072
8	H	-0.154
9	H	-0.154
10	H	-0.037
11	H	-0.048
12	H	-0.048

	x	y	z	Total
	1.061	-0.733	0.000	1.290
CHELPG
AIM
ESP

	x	y	z
x	6.620	0.720	0.000
y	0.720	6.670	0.000
z	0.000	0.000	5.726

<r²>	102.979
(<r²>)^1/2	10.148

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

using model chemistry: HF/aug-cc-pVDZ

States and conformations

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