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	hartrees
Energy at 0K	-194.135120
Energy at 298.15K	-194.144111
HF Energy	-194.135120
Nuclear repulsion energy	133.999250

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3164	3020	22.85
2	A'	3154	3010	30.29
3	A'	3077	2936	15.23
4	A'	2995	2858	81.80
5	A'	2976	2840	39.27
6	A'	1547	1476	1.40
7	A'	1519	1449	4.73
8	A'	1511	1442	6.26
9	A'	1489	1421	0.13
10	A'	1441	1375	41.72
11	A'	1400	1336	3.12
12	A'	1254	1197	77.57
13	A'	1204	1149	110.41
14	A'	1128	1076	5.76
15	A'	1062	1014	17.57
16	A'	888	848	8.73
17	A'	472	451	0.61
18	A'	290	277	2.90
19	A"	3167	3023	23.97
20	A"	3045	2906	62.42
21	A"	3008	2871	77.12
22	A"	1496	1428	8.19
23	A"	1493	1425	3.32
24	A"	1306	1247	1.53
25	A"	1209	1154	9.54
26	A"	1174	1121	0.32
27	A"	827	789	0.62
28	A"	270	258	2.22
29	A"	218	208	1.03
30	A"	119	114	2.90

Atom	x (Å)	y (Å)	z (Å)
C1	1.312	1.229	0.000
O2	0.012	0.709	0.000
C3	0.000	-0.698	0.000
C4	-1.438	-1.166	0.000
H5	1.232	2.319	0.000
H6	1.881	0.917	0.891
H7	1.881	0.917	-0.891
H8	0.534	-1.085	-0.886
H9	0.534	-1.085	0.886
H10	-1.487	-2.259	0.000
H11	-1.960	-0.794	0.886
H12	-1.960	-0.794	-0.886

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4004	2.3315	3.6467	1.0924	1.1020	1.1020	2.5973	2.5973	4.4722	3.9477	3.9477
O2	1.4004		1.4069	2.3700	2.0198	2.0806	2.0806	2.0674	2.0674	3.3246	2.6328	2.6328
C3	2.3315	1.4069		1.5118	3.2585	2.6342	2.6342	1.1042	1.1042	2.1556	2.1527	2.1527
C4	3.6467	2.3700	1.5118		4.3898	4.0179	4.0179	2.1626	2.1626	1.0937	1.0933	1.0933
H5	1.0924	2.0198	3.2585	4.3898		1.7831	1.7831	3.5856	3.5856	5.3240	4.5455	4.5455
H6	1.1020	2.0806	2.6342	4.0179	1.7831		1.7819	2.9966	2.4129	4.7137	4.2045	4.5644
H7	1.1020	2.0806	2.6342	4.0179	1.7831	1.7819		2.4129	2.9966	4.7137	4.5644	4.2045
H8	2.5973	2.0674	1.1042	2.1626	3.5856	2.9966	2.4129		1.7718	2.4989	3.0723	2.5102
H9	2.5973	2.0674	1.1042	2.1626	3.5856	2.4129	2.9966	1.7718		2.4989	2.5102	3.0723
H10	4.4722	3.3246	2.1556	1.0937	5.3240	4.7137	4.7137	2.4989	2.4989		1.7755	1.7755
H11	3.9477	2.6328	2.1527	1.0933	4.5455	4.2045	4.5644	3.0723	2.5102	1.7755		1.7711
H12	3.9477	2.6328	2.1527	1.0933	4.5455	4.5644	4.2045	2.5102	3.0723	1.7755	1.7711

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.307	O2	C1	H5	107.603
O2	C1	H6	111.941	O2	C1	H7	111.941
O2	C3	C4	108.531	O2	C3	H8	110.255
O2	C3	H9	110.255	C3	C4	H10	110.619
C3	C4	H11	110.418	C3	C4	H12	110.418
C4	C3	H8	110.549	C4	C3	H9	110.549
H5	C1	H6	108.690	H5	C1	H7	108.690
H6	C1	H7	107.891	H8	C3	H9	106.705
H10	C4	H11	108.559	H10	C4	H12	108.559
H11	C4	H12	108.197

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	-0.123
2	O	-0.475
3	C	0.028
4	C	-0.407
5	H	0.138
6	H	0.109
7	H	0.109
8	H	0.102
9	H	0.102
10	H	0.127
11	H	0.145
12	H	0.145

	x	y	z	Total
	0.922	-0.685	0.000	1.148
CHELPG
AIM
ESP

	x	y	z
x	5.824	0.714	0.000
y	0.714	5.941	0.000
z	0.000	0.000	5.115

<r²>	102.427
(<r²>)^1/2	10.121

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-)