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	hartrees
Energy at 0K	-194.289318
Energy at 298.15K	-194.298293
HF Energy	-194.289318
Nuclear repulsion energy	134.302507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3023	27.90
2	A'	3146	3020	30.81
3	A'	3068	2945	17.68
4	A'	2990	2871	89.94
5	A'	2974	2855	39.55
6	A'	1536	1474	2.46
7	A'	1509	1449	4.36
8	A'	1502	1442	7.08
9	A'	1481	1422	0.41
10	A'	1433	1376	37.12
11	A'	1394	1338	0.77
12	A'	1247	1198	63.05
13	A'	1192	1145	131.97
14	A'	1123	1078	4.82
15	A'	1056	1014	19.71
16	A'	883	848	10.55
17	A'	465	447	0.64
18	A'	285	273	2.67
19	A"	3150	3025	29.48
20	A"	3036	2915	66.17
21	A"	3002	2882	79.49
22	A"	1486	1426	9.56
23	A"	1481	1422	4.95
24	A"	1304	1252	2.35
25	A"	1202	1154	10.38
26	A"	1169	1123	0.22
27	A"	825	792	0.35
28	A"	266	255	2.27
29	A"	213	204	1.15
30	A"	116	112	2.71

Atom	x (Å)	y (Å)	z (Å)
C1	1.310	1.228	0.000
O2	0.011	0.708	0.000
C3	0.000	-0.697	0.000
C4	-1.433	-1.166	0.000
H5	1.231	2.313	0.000
H6	1.872	0.914	0.889
H7	1.872	0.914	-0.889
H8	0.532	-1.078	-0.884
H9	0.532	-1.078	0.884
H10	-1.483	-2.255	0.000
H11	-1.953	-0.794	0.883
H12	-1.953	-0.794	-0.883

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3993	2.3287	3.6408	1.0881	1.0980	1.0980	2.5890	2.5890	4.4642	3.9389	3.9389
O2	1.3993		1.4054	2.3658	2.0158	2.0730	2.0730	2.0596	2.0596	3.3181	2.6254	2.6254
C3	2.3287	1.4054		1.5078	3.2522	2.6253	2.6253	1.0998	1.0998	2.1504	2.1452	2.1452
C4	3.6408	2.3658	1.5078		4.3816	4.0052	4.0052	2.1567	2.1567	1.0902	1.0896	1.0896
H5	1.0881	2.0158	3.2522	4.3816		1.7778	1.7778	3.5731	3.5731	5.3130	4.5353	4.5353
H6	1.0980	2.0730	2.6253	4.0052	1.7778		1.7788	2.9847	2.4006	4.6997	4.1891	4.5485
H7	1.0980	2.0730	2.6253	4.0052	1.7778	1.7788		2.4006	2.9847	4.6997	4.5485	4.1891
H8	2.5890	2.0596	1.0998	2.1567	3.5731	2.9847	2.4006		1.7685	2.4952	3.0620	2.5007
H9	2.5890	2.0596	1.0998	2.1567	3.5731	2.4006	2.9847	1.7685		2.4952	2.5007	3.0620
H10	4.4642	3.3181	2.1504	1.0902	5.3130	4.6997	4.6997	2.4952	2.4952		1.7702	1.7702
H11	3.9389	2.6254	2.1452	1.0896	4.5353	4.1891	4.5485	3.0620	2.5007	1.7702		1.7656
H12	3.9389	2.6254	2.1452	1.0896	4.5353	4.5485	4.1891	2.5007	3.0620	1.7702	1.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.257	O2	C1	H5	107.615
O2	C1	H6	111.657	O2	C1	H7	111.657
O2	C3	C4	108.549	O2	C3	H8	110.002
O2	C3	H9	110.002	C3	C4	H10	110.695
C3	C4	H11	110.322	C3	C4	H12	110.322
C4	C3	H8	110.626	C4	C3	H9	110.626
H5	C1	H6	108.821	H5	C1	H7	108.821
H6	C1	H7	108.200	H8	C3	H9	107.033
H10	C4	H11	108.599	H10	C4	H12	108.599
H11	C4	H12	108.237

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

using model chemistry: B1B95/6-311G**

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	-0.147
2	O	-0.350
3	C	-0.056
4	C	-0.352
5	H	0.126
6	H	0.099
7	H	0.099
8	H	0.102
9	H	0.102
10	H	0.116
11	H	0.130
12	H	0.130

	x	y	z	Total
	0.975	-0.685	0.000	1.191
CHELPG
AIM
ESP

	x	y	z
x	6.285	0.760	0.000
y	0.760	6.257	0.000
z	0.000	0.000	5.410

<r²>	102.221
(<r²>)^1/2	10.110

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

using model chemistry: B1B95/6-311G**

States and conformations

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