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	hartrees
Energy at 0K	-193.117398
Energy at 298.15K	-193.126565
HF Energy	-193.117398
Nuclear repulsion energy	134.545583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3277	2958	51.23
2	A'	3260	2942	44.95
3	A'	3191	2880	22.67
4	A'	3150	2843	96.41
5	A'	3132	2827	30.95
6	A'	1670	1508	0.74
7	A'	1640	1480	5.96
8	A'	1631	1472	2.28
9	A'	1620	1462	0.52
10	A'	1573	1420	49.86
11	A'	1529	1380	7.75
12	A'	1368	1235	84.28
13	A'	1288	1163	157.12
14	A'	1214	1096	7.06
15	A'	1115	1006	16.58
16	A'	947	854	13.22
17	A'	498	450	0.80
18	A'	309	279	3.01
19	A"	3272	2953	47.79
20	A"	3194	2883	96.32
21	A"	3163	2855	65.06
22	A"	1627	1469	4.14
23	A"	1612	1455	2.86
24	A"	1418	1280	2.40
25	A"	1310	1182	13.76
26	A"	1276	1152	0.00
27	A"	885	799	0.00
28	A"	283	256	2.77
29	A"	222	200	2.53
30	A"	118	106	3.37

Atom	x (Å)	y (Å)	z (Å)
C1	1.255	1.294	0.000
O2	0.000	0.693	0.000
C3	0.031	-0.704	0.000
C4	-1.394	-1.219	0.000
H5	1.108	2.366	0.000
H6	1.831	1.019	0.883
H7	1.831	1.019	-0.883
H8	0.566	-1.068	-0.878
H9	0.566	-1.068	0.878
H10	-1.407	-2.305	0.000
H11	-1.923	-0.867	0.879
H12	-1.923	-0.867	-0.879

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.3916	2.3429	3.6515	1.0821	1.0896	1.0896	2.6117	2.6117	4.4758	3.9423	3.9423
O2	1.3916		1.3970	2.3663	2.0066	2.0592	2.0592	2.0473	2.0473	3.3112	2.6274	2.6274
C3	2.3429	1.3970		1.5152	3.2530	2.6440	2.6440	1.0911	1.0911	2.1514	2.1484	2.1484
C4	3.6515	2.3663	1.5152		4.3718	4.0242	4.0242	2.1536	2.1536	1.0858	1.0843	1.0843
H5	1.0821	2.0066	3.2530	4.3718		1.7653	1.7653	3.5850	3.5850	5.3044	4.5178	4.5178
H6	1.0896	2.0592	2.6440	4.0242	1.7653		1.7663	3.0095	2.4403	4.7235	4.2015	4.5560
H7	1.0896	2.0592	2.6440	4.0242	1.7653	1.7663		2.4403	3.0095	4.7235	4.5560	4.2015
H8	2.6117	2.0473	1.0911	2.1536	3.5850	3.0095	2.4403		1.7561	2.4887	3.0534	2.4973
H9	2.6117	2.0473	1.0911	2.1536	3.5850	2.4403	3.0095	1.7561		2.4887	2.4973	3.0534
H10	4.4758	3.3112	2.1514	1.0858	5.3044	4.7235	4.7235	2.4887	2.4887		1.7624	1.7624
H11	3.9423	2.6274	2.1484	1.0843	4.5178	4.2015	4.5560	3.0534	2.4973	1.7624		1.7577
H12	3.9423	2.6274	2.1484	1.0843	4.5178	4.5560	4.2015	2.4973	3.0534	1.7624	1.7577

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.314	O2	C1	H5	107.760
O2	C1	H6	111.605	O2	C1	H7	111.605
O2	C3	C4	108.622	O2	C3	H8	110.137
O2	C3	H9	110.137	C3	C4	H10	110.525
C3	C4	H11	110.370	C3	C4	H12	110.370
C4	C3	H8	110.383	C4	C3	H9	110.383
H5	C1	H6	108.749	H5	C1	H7	108.749
H6	C1	H7	108.299	H8	C3	H9	107.177
H10	C4	H11	108.608	H10	C4	H12	108.608
H11	C4	H12	108.296

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

using model chemistry: HF/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	-0.004
2	O	-0.621
3	C	0.123
4	C	-0.345
5	H	0.125
6	H	0.092
7	H	0.092
8	H	0.089
9	H	0.089
10	H	0.107
11	H	0.127
12	H	0.127

	x	y	z	Total
	1.144	-0.715	0.000	1.349
CHELPG
AIM
ESP

	x	y	z
x	5.364	0.553	0.000
y	0.553	5.628	0.000
z	0.000	0.000	4.919

<r²>	102.387
(<r²>)^1/2	10.119

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

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

States and conformations

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