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	hartrees
Energy at 0K	-194.314858
Energy at 298.15K	-194.323834
HF Energy	-194.314858
Nuclear repulsion energy	133.868199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3129	3012	36.03
2	A'	3124	3008	31.96
3	A'	3049	2935	20.43
4	A'	2976	2865	100.67
5	A'	2958	2848	39.60
6	A'	1546	1488	2.79
7	A'	1521	1464	4.92
8	A'	1513	1456	8.25
9	A'	1489	1433	0.36
10	A'	1439	1385	38.47
11	A'	1403	1350	0.79
12	A'	1248	1201	46.83
13	A'	1179	1135	145.67
14	A'	1127	1085	5.95
15	A'	1047	1008	19.14
16	A'	879	847	11.46
17	A'	469	451	0.55
18	A'	288	277	2.75
19	A"	3128	3011	35.53
20	A"	3019	2906	76.11
21	A"	2985	2874	83.70
22	A"	1498	1442	11.17
23	A"	1495	1439	5.04
24	A"	1312	1263	1.97
25	A"	1206	1161	10.11
26	A"	1175	1131	0.31
27	A"	828	797	0.36
28	A"	269	259	2.27
29	A"	214	206	1.33
30	A"	117	113	2.86

Atom	x (Å)	y (Å)	z (Å)
C1	1.313	1.236	0.000
O2	0.013	0.709	0.000
C3	0.000	-0.700	0.000
C4	-1.437	-1.171	0.000
H5	1.225	2.323	0.000
H6	1.879	0.925	0.892
H7	1.879	0.925	-0.892
H8	0.534	-1.083	-0.886
H9	0.534	-1.083	0.886
H10	-1.487	-2.264	0.000
H11	-1.961	-0.802	0.885
H12	-1.961	-0.802	-0.885

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4028	2.3392	3.6543	1.0910	1.1007	1.1007	2.6015	2.6015	4.4814	3.9564	3.9564
O2	1.4028		1.4098	2.3744	2.0182	2.0795	2.0795	2.0662	2.0662	3.3298	2.6385	2.6385
C3	2.3392	1.4098		1.5119	3.2620	2.6396	2.6396	1.1029	1.1029	2.1573	2.1538	2.1538
C4	3.6543	2.3744	1.5119		4.3925	4.0228	4.0228	2.1623	2.1623	1.0936	1.0928	1.0928
H5	1.0910	2.0182	3.2620	4.3925		1.7823	1.7823	3.5865	3.5865	5.3282	4.5493	4.5493
H6	1.1007	2.0795	2.6396	4.0228	1.7823		1.7835	3.0004	2.4169	4.7212	4.2104	4.5697
H7	1.1007	2.0795	2.6396	4.0228	1.7823	1.7835		2.4169	3.0004	4.7212	4.5697	4.2104
H8	2.6015	2.0662	1.1029	2.1623	3.5865	3.0004	2.4169		1.7723	2.5023	3.0723	2.5107
H9	2.6015	2.0662	1.1029	2.1623	3.5865	2.4169	3.0004	1.7723		2.5023	2.5107	3.0723
H10	4.4814	3.3298	2.1573	1.0936	5.3282	4.7212	4.7212	2.5023	2.5023		1.7736	1.7736
H11	3.9564	2.6385	2.1538	1.0928	4.5493	4.2104	4.5697	3.0723	2.5107	1.7736		1.7691
H12	3.9564	2.6385	2.1538	1.0928	4.5493	4.5697	4.2104	2.5107	3.0723	1.7736	1.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.546	O2	C1	H5	107.396
O2	C1	H6	111.759	O2	C1	H7	111.759
O2	C3	C4	108.662	O2	C3	H8	110.026
O2	C3	H9	110.026	C3	C4	H10	110.758
C3	C4	H11	110.530	C3	C4	H12	110.530
C4	C3	H8	110.600	C4	C3	H9	110.600
H5	C1	H6	108.819	H5	C1	H7	108.819
H6	C1	H7	108.216	H8	C3	H9	106.922
H10	C4	H11	108.425	H10	C4	H12	108.425
H11	C4	H12	108.086

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

using model chemistry: B3PW91/6-311G*

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	-0.450
2	O	-0.328
3	C	-0.215
4	C	-0.668
5	H	0.223
6	H	0.195
7	H	0.195
8	H	0.189
9	H	0.189
10	H	0.215
11	H	0.228
12	H	0.228

	x	y	z	Total
	0.976	-0.684	0.000	1.192
CHELPG
AIM
ESP

	x	y	z
x	6.187	0.728	0.000
y	0.728	6.169	0.000
z	0.000	0.000	5.343

<r²>	102.902
(<r²>)^1/2	10.144

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

using model chemistry: B3PW91/6-311G*

States and conformations

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