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	hartrees
Energy at 0K	-193.390587
Energy at 298.15K	-193.399513
HF Energy	-193.390587
Nuclear repulsion energy	134.571331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3071	3035	11.30
2	A'	3061	3026	16.03
3	A'	2984	2949	11.02
4	A'	2886	2853	76.79
5	A'	2864	2831	45.96
6	A'	1463	1446	5.73
7	A'	1435	1418	3.11
8	A'	1427	1410	7.53
9	A'	1407	1391	5.91
10	A'	1370	1355	33.90
11	A'	1330	1314	2.13
12	A'	1206	1192	126.97
13	A'	1173	1160	51.49
14	A'	1091	1078	2.04
15	A'	1049	1037	28.71
16	A'	863	853	8.42
17	A'	466	461	0.64
18	A'	284	281	3.12
19	A"	3067	3032	13.35
20	A"	2931	2897	45.05
21	A"	2887	2853	76.19
22	A"	1406	1390	14.92
23	A"	1403	1387	7.10
24	A"	1246	1231	2.22
25	A"	1154	1140	9.06
26	A"	1122	1109	0.75
27	A"	797	788	1.01
28	A"	266	263	2.06
29	A"	214	212	0.86
30	A"	123	122	2.74

Atom	x (Å)	y (Å)	z (Å)
C1	1.295	1.223	0.000
O2	-0.000	0.713	0.000
C3	0.000	-0.686	0.000
C4	-1.413	-1.172	0.000
H5	1.229	2.319	0.000
H6	1.863	0.900	0.897
H7	1.863	0.900	-0.897
H8	0.548	-1.063	-0.892
H9	0.548	-1.063	0.892
H10	-1.448	-2.271	0.000
H11	-1.946	-0.808	0.890
H12	-1.946	-0.808	-0.890

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3917	2.3065	3.6151	1.0983	1.1101	1.1101	2.5653	2.5653	4.4416	3.9268	3.9268
O2	1.3917		1.3985	2.3556	2.0226	2.0762	2.0762	2.0618	2.0618	3.3162	2.6252	2.6252
C3	2.3065	1.3985		1.4945	3.2466	2.6056	2.6056	1.1129	1.1129	2.1466	2.1433	2.1433
C4	3.6151	2.3556	1.4945		4.3782	3.9787	3.9787	2.1574	2.1574	1.0994	1.0995	1.0995
H5	1.0983	2.0226	3.2466	4.3782		1.7952	1.7952	3.5640	3.5640	5.3134	4.5444	4.5444
H6	1.1101	2.0762	2.6056	3.9787	1.7952		1.7939	2.9635	2.3628	4.6708	4.1742	4.5408
H7	1.1101	2.0762	2.6056	3.9787	1.7952	1.7939		2.3628	2.9635	4.6708	4.5408	4.1742
H8	2.5653	2.0618	1.1129	2.1574	3.5640	2.9635	2.3628		1.7837	2.4973	3.0760	2.5070
H9	2.5653	2.0618	1.1129	2.1574	3.5640	2.3628	2.9635	1.7837		2.4973	2.5070	3.0760
H10	4.4416	3.3162	2.1466	1.0994	5.3134	4.6708	4.6708	2.4973	2.4973		1.7834	1.7834
H11	3.9268	2.6252	2.1433	1.0995	4.5444	4.1742	4.5408	3.0760	2.5070	1.7834		1.7810
H12	3.9268	2.6252	2.1433	1.0995	4.5444	4.5408	4.1742	2.5070	3.0760	1.7834	1.7810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.511	O2	C1	H5	108.068
O2	C1	H6	111.686	O2	C1	H7	111.686
O2	C3	C4	108.979	O2	C3	H8	109.840
O2	C3	H9	109.840	C3	C4	H10	110.772
C3	C4	H11	110.510	C3	C4	H12	110.510
C4	C3	H8	110.818	C4	C3	H9	110.818
H5	C1	H6	108.762	H5	C1	H7	108.762
H6	C1	H7	107.803	H8	C3	H9	106.524
H10	C4	H11	108.394	H10	C4	H12	108.394
H11	C4	H12	108.177

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

using model chemistry: LSDA/TZVP

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	-0.340
2	O	-0.226
3	C	-0.194
4	C	-0.460
5	H	0.176
6	H	0.139
7	H	0.139
8	H	0.137
9	H	0.137
10	H	0.155
11	H	0.169
12	H	0.169

	x	y	z	Total
	0.935	-0.701	0.000	1.169
CHELPG
AIM
ESP

	x	y	z
x	6.934	0.710	0.000
y	0.710	6.918	0.000
z	0.000	0.000	6.196

<r²>	101.900
(<r²>)^1/2	10.095

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

using model chemistry: LSDA/TZVP

States and conformations

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