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	hartrees
Energy at 0K	-194.324188
Energy at 298.15K	-194.333029
HF Energy	-194.324188
Nuclear repulsion energy	132.109248

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3039	3031	30.01
2	A'	3028	3021	29.33
3	A'	2969	2961	19.53
4	A'	2891	2884	96.44
5	A'	2871	2864	42.78
6	A'	1493	1489	1.23
7	A'	1470	1466	0.71
8	A'	1463	1459	10.43
9	A'	1437	1434	0.06
10	A'	1387	1384	27.04
11	A'	1368	1365	6.33
12	A'	1189	1186	18.37
13	A'	1082	1080	4.34
14	A'	1066	1063	154.46
15	A'	977	974	14.56
16	A'	821	819	17.43
17	A'	451	450	0.45
18	A'	279	279	2.70
19	A"	3036	3028	31.91
20	A"	2924	2917	70.28
21	A"	2892	2885	77.27
22	A"	1450	1447	6.66
23	A"	1444	1440	4.67
24	A"	1261	1258	1.05
25	A"	1158	1155	8.27
26	A"	1126	1123	0.01
27	A"	811	809	0.20
28	A"	257	256	1.97
29	A"	206	206	1.32
30	A"	112	111	3.13

Atom	x (Å)	y (Å)	z (Å)
C1	1.330	1.266	0.000
O2	0.007	0.721	0.000
C3	0.000	-0.718	0.000
C4	-1.448	-1.197	0.000
H5	1.226	2.357	0.000
H6	1.898	0.959	0.897
H7	1.898	0.959	-0.897
H8	0.536	-1.096	-0.892
H9	0.536	-1.096	0.892
H10	-1.485	-2.295	0.000
H11	-1.977	-0.833	0.890
H12	-1.977	-0.833	-0.890

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4306	2.3878	3.7122	1.0957	1.1057	1.1057	2.6464	2.6464	4.5386	4.0166	4.0166
O2	1.4306		1.4385	2.4072	2.0396	2.1069	2.1069	2.0921	2.0921	3.3645	2.6727	2.6727
C3	2.3878	1.4385		1.5254	3.3093	2.6867	2.6867	1.1074	1.1074	2.1662	2.1716	2.1716
C4	3.7122	2.4072	1.5254		4.4467	4.0805	4.0805	2.1779	2.1779	1.0988	1.0975	1.0975
H5	1.0957	2.0396	3.3093	4.4467		1.7921	1.7921	3.6319	3.6319	5.3833	4.6067	4.6067
H6	1.1057	2.1069	2.6867	4.0805	1.7921		1.7944	3.0461	2.4653	4.7787	4.2698	4.6287
H7	1.1057	2.1069	2.6867	4.0805	1.7921	1.7944		2.4653	3.0461	4.7787	4.6287	4.2698
H8	2.6464	2.0921	1.1074	2.1779	3.6319	3.0461	2.4653		1.7841	2.5133	3.0924	2.5273
H9	2.6464	2.0921	1.1074	2.1779	3.6319	2.4653	3.0461	1.7841		2.5133	2.5273	3.0924
H10	4.5386	3.3645	2.1662	1.0988	5.3833	4.7787	4.7787	2.5133	2.5133		1.7812	1.7812
H11	4.0166	2.6727	2.1716	1.0975	4.6067	4.2698	4.6287	3.0924	2.5273	1.7812		1.7800
H12	4.0166	2.6727	2.1716	1.0975	4.6067	4.6287	4.2698	2.5273	3.0924	1.7812	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.663	O2	C1	H5	106.920
O2	C1	H6	111.699	O2	C1	H7	111.699
O2	C3	C4	108.580	O2	C3	H8	109.840
O2	C3	H9	109.840	C3	C4	H10	110.205
C3	C4	H11	110.709	C3	C4	H12	110.709
C4	C3	H8	110.625	C4	C3	H9	110.625
H5	C1	H6	108.992	H5	C1	H7	108.992
H6	C1	H7	108.472	H8	C3	H9	107.325
H10	C4	H11	108.387	H10	C4	H12	108.387
H11	C4	H12	108.368

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

using model chemistry: BLYP/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	-0.190
2	O	-0.273
3	C	-0.068
4	C	-0.309
5	H	0.131
6	H	0.097
7	H	0.097
8	H	0.088
9	H	0.088
10	H	0.103
11	H	0.117
12	H	0.117

	x	y	z	Total
	1.008	-0.735	0.000	1.248
CHELPG
AIM
ESP

	x	y	z
x	6.995	0.829	0.000
y	0.829	7.025	0.000
z	0.000	0.000	6.085

<r²>	105.807
(<r²>)^1/2	10.286

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

using model chemistry: BLYP/TZVP

States and conformations

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