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	hartrees
Energy at 0K	-194.134935
Energy at 298.15K	-194.143933
HF Energy	-193.931604
Nuclear repulsion energy	133.594385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3175	3175	57.51
2	A'	3175	3175	1.27
3	A'	3094	3094	15.91
4	A'	3022	3022	78.98
5	A'	3003	3003	38.81
6	A'	1572	1572	0.53
7	A'	1545	1545	4.41
8	A'	1539	1539	5.30
9	A'	1511	1511	0.34
10	A'	1461	1461	38.70
11	A'	1425	1425	9.43
12	A'	1257	1257	44.64
13	A'	1181	1181	133.67
14	A'	1136	1136	4.38
15	A'	1050	1050	15.66
16	A'	883	883	11.91
17	A'	471	471	0.63
18	A'	291	291	2.81
19	A"	3183	3183	27.12
20	A"	3073	3073	66.47
21	A"	3037	3037	73.47
22	A"	1524	1524	6.15
23	A"	1522	1522	2.18
24	A"	1319	1319	1.17
25	A"	1224	1224	10.04
26	A"	1187	1187	0.01
27	A"	838	838	0.20
28	A"	272	272	2.22
29	A"	218	218	1.29
30	A"	116	116	2.90

Atom	x (Å)	y (Å)	z (Å)
C1	1.320	1.236	0.000
O2	0.011	0.711	0.000
C3	0.000	-0.705	0.000
C4	-1.443	-1.169	0.000
H5	1.235	2.322	0.000
H6	1.884	0.923	0.889
H7	1.884	0.923	-0.889
H8	0.531	-1.089	-0.885
H9	0.531	-1.089	0.885
H10	-1.495	-2.259	0.000
H11	-1.960	-0.795	0.884
H12	-1.960	-0.795	-0.884

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4110	2.3480	3.6635	1.0893	1.0984	1.0984	2.6101	2.6101	4.4881	3.9588	3.9588
O2	1.4110		1.4169	2.3768	2.0228	2.0847	2.0847	2.0723	2.0723	3.3304	2.6337	2.6337
C3	2.3480	1.4169		1.5155	3.2694	2.6447	2.6447	1.1005	1.1005	2.1561	2.1523	2.1523
C4	3.6635	2.3768	1.5155		4.3995	4.0298	4.0298	2.1641	2.1641	1.0916	1.0904	1.0904
H5	1.0893	2.0228	3.2694	4.3995		1.7802	1.7802	3.5935	3.5935	5.3327	4.5504	4.5504
H6	1.0984	2.0847	2.6447	4.0298	1.7802		1.7785	3.0048	2.4254	4.7263	4.2112	4.5694
H7	1.0984	2.0847	2.6447	4.0298	1.7802	1.7785		2.4254	3.0048	4.7263	4.5694	4.2112
H8	2.6101	2.0723	1.1005	2.1641	3.5935	3.0048	2.4254		1.7691	2.5007	3.0690	2.5081
H9	2.6101	2.0723	1.1005	2.1641	3.5935	2.4254	3.0048	1.7691		2.5007	2.5081	3.0690
H10	4.4881	3.3304	2.1561	1.0916	5.3327	4.7263	4.7263	2.5007	2.5007		1.7726	1.7726
H11	3.9588	2.6337	2.1523	1.0904	4.5504	4.2112	4.5694	3.0690	2.5081	1.7726		1.7683
H12	3.9588	2.6337	2.1523	1.0904	4.5504	4.5694	4.2112	2.5081	3.0690	1.7726	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.259	O2	C1	H5	107.301
O2	C1	H6	111.754	O2	C1	H7	111.754
O2	C3	C4	108.245	O2	C3	H8	110.179
O2	C3	H9	110.179	C3	C4	H10	110.532
C3	C4	H11	110.297	C3	C4	H12	110.297
C4	C3	H8	110.632	C4	C3	H9	110.632
H5	C1	H6	108.923	H5	C1	H7	108.923
H6	C1	H7	108.121	H8	C3	H9	106.981
H10	C4	H11	108.653	H10	C4	H12	108.653
H11	C4	H12	108.348

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

using model chemistry: B2PLYP/6-31G**

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	-0.051
2	O	-0.498
3	C	0.081
4	C	-0.336
5	H	0.117
6	H	0.089
7	H	0.089
8	H	0.081
9	H	0.081
10	H	0.103
11	H	0.121
12	H	0.121

	x	y	z	Total
	0.969	-0.698	0.000	1.194
CHELPG
AIM
ESP

	x	y	z
x	5.733	0.710	0.000
y	0.710	5.886	0.000
z	0.000	0.000	5.030

<r²>	103.133
(<r²>)^1/2	10.155

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

using model chemistry: B2PLYP/6-31G**

States and conformations

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