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	hartrees
Energy at 0K	-194.124766
Energy at 298.15K	-194.133764
HF Energy	-194.124766
Nuclear repulsion energy	134.005425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3166	3011	24.43
2	A'	3162	3007	31.42
3	A'	3083	2932	15.61
4	A'	3005	2858	82.09
5	A'	2985	2839	39.15
6	A'	1563	1487	1.17
7	A'	1536	1461	5.10
8	A'	1528	1453	6.68
9	A'	1504	1430	0.07
10	A'	1453	1382	42.01
11	A'	1415	1345	4.59
12	A'	1261	1199	73.18
13	A'	1207	1148	114.45
14	A'	1135	1080	5.85
15	A'	1066	1014	17.75
16	A'	893	849	9.01
17	A'	474	450	0.59
18	A'	291	277	2.89
19	A"	3169	3014	25.47
20	A"	3052	2902	64.59
21	A"	3015	2867	79.15
22	A"	1514	1440	7.91
23	A"	1511	1437	3.91
24	A"	1316	1251	1.47
25	A"	1217	1158	9.90
26	A"	1183	1125	0.28
27	A"	832	791	0.56
28	A"	272	259	2.31
29	A"	220	209	1.05
30	A"	120	114	2.88

Atom	x (Å)	y (Å)	z (Å)
C1	1.313	1.228	0.000
O2	0.013	0.709	0.000
C3	0.000	-0.697	0.000
C4	-1.438	-1.165	0.000
H5	1.231	2.318	0.000
H6	1.880	0.914	0.892
H7	1.880	0.914	-0.892
H8	0.534	-1.083	-0.887
H9	0.534	-1.083	0.887
H10	-1.488	-2.258	0.000
H11	-1.961	-0.792	0.886
H12	-1.961	-0.792	-0.886

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3999	2.3303	3.6462	1.0930	1.1025	1.1025	2.5952	2.5952	4.4722	3.9476	3.9476
O2	1.3999		1.4064	2.3701	2.0181	2.0795	2.0795	2.0663	2.0663	3.3254	2.6332	2.6332
C3	2.3303	1.4064		1.5124	3.2568	2.6319	2.6319	1.1044	1.1044	2.1567	2.1538	2.1538
C4	3.6462	2.3701	1.5124		4.3881	4.0162	4.0162	2.1636	2.1636	1.0947	1.0942	1.0942
H5	1.0930	2.0181	3.2568	4.3881		1.7851	1.7851	3.5833	3.5833	5.3232	4.5438	4.5438
H6	1.1025	2.0795	2.6319	4.0162	1.7851		1.7840	2.9944	2.4089	4.7122	4.2027	4.5635
H7	1.1025	2.0795	2.6319	4.0162	1.7851	1.7840		2.4089	2.9944	4.7122	4.5635	4.2027
H8	2.5952	2.0663	1.1044	2.1636	3.5833	2.9944	2.4089		1.7732	2.5008	3.0739	2.5111
H9	2.5952	2.0663	1.1044	2.1636	3.5833	2.4089	2.9944	1.7732		2.5008	2.5111	3.0739
H10	4.4722	3.3254	2.1567	1.0947	5.3232	4.7122	4.7122	2.5008	2.5008		1.7773	1.7773
H11	3.9476	2.6332	2.1538	1.0942	4.5438	4.2027	4.5635	3.0739	2.5111	1.7773		1.7727
H12	3.9476	2.6332	2.1538	1.0942	4.5438	4.5635	4.2027	2.5111	3.0739	1.7773	1.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.276	O2	C1	H5	107.465
O2	C1	H6	111.853	O2	C1	H7	111.853
O2	C3	C4	108.530	O2	C3	H8	110.189
O2	C3	H9	110.189	C3	C4	H10	110.612
C3	C4	H11	110.407	C3	C4	H12	110.407
C4	C3	H8	110.571	C4	C3	H9	110.571
H5	C1	H6	108.797	H5	C1	H7	108.797
H6	C1	H7	108.002	H8	C3	H9	106.792
H10	C4	H11	108.571	H10	C4	H12	108.571
H11	C4	H12	108.205

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

using model chemistry: HSEh1PBE/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	-0.256
2	O	-0.455
3	C	-0.058
4	C	-0.527
5	H	0.181
6	H	0.148
7	H	0.148
8	H	0.141
9	H	0.141
10	H	0.168
11	H	0.184
12	H	0.184

	x	y	z	Total
	0.927	-0.686	0.000	1.153
CHELPG
AIM
ESP

	x	y	z
x	5.711	0.687	0.000
y	0.687	5.835	0.000
z	0.000	0.000	5.037

<r²>	102.407
(<r²>)^1/2	10.120

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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