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	hartrees
Energy at 0K	-193.782930
Energy at 298.15K	-193.791943
HF Energy	-193.117852
Nuclear repulsion energy	133.385597

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3185	3019	25.05
2	A'	3182	3016	31.09
3	A'	3094	2933	16.33
4	A'	3031	2873	74.62
5	A'	3014	2857	34.16
6	A'	1544	1463	1.02
7	A'	1514	1435	7.19
8	A'	1506	1428	2.38
9	A'	1491	1413	0.13
10	A'	1450	1374	47.21
11	A'	1401	1328	4.41
12	A'	1267	1201	75.46
13	A'	1212	1149	100.56
14	A'	1128	1069	3.08
15	A'	1076	1020	16.97
16	A'	895	849	9.40
17	A'	477	453	0.69
18	A'	293	278	2.44
19	A"	3188	3022	25.38
20	A"	3087	2927	62.87
21	A"	3052	2893	74.24
22	A"	1492	1415	5.49
23	A"	1485	1408	4.10
24	A"	1310	1242	2.36
25	A"	1214	1151	11.88
26	A"	1179	1118	0.00
27	A"	828	784	0.04
28	A"	272	258	2.34
29	A"	216	204	1.46
30	A"	112	106	2.22

Atom	x (Å)	y (Å)	z (Å)
C1	1.324	1.222	0.000
O2	0.011	0.715	0.000
C3	0.000	-0.697	0.000
C4	-1.449	-1.163	0.000
H5	1.257	2.320	0.000
H6	1.890	0.898	0.898
H7	1.890	0.898	-0.898
H8	0.534	-1.087	-0.893
H9	0.534	-1.087	0.893
H10	-1.502	-2.265	0.000
H11	-1.971	-0.783	0.894
H12	-1.971	-0.783	-0.894

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4069	2.3311	3.6574	1.1006	1.1095	1.1095	2.5989	2.5989	4.4875	3.9589	3.9589
O2	1.4069		1.4118	2.3790	2.0325	2.0902	2.0902	2.0780	2.0780	3.3415	2.6404	2.6404
C3	2.3311	1.4118		1.5223	3.2690	2.6313	2.6313	1.1113	1.1113	2.1707	2.1657	2.1657
C4	3.6574	2.3790	1.5223		4.4114	4.0258	4.0258	2.1761	2.1761	1.1027	1.1023	1.1023
H5	1.1006	2.0325	3.2690	4.4114		1.7967	1.7967	3.5964	3.5964	5.3511	4.5665	4.5665
H6	1.1095	2.0902	2.6313	4.0258	1.7967		1.7951	2.9984	2.4048	4.7238	4.2114	4.5764
H7	1.1095	2.0902	2.6313	4.0258	1.7967	1.7951		2.4048	2.9984	4.7238	4.5764	4.2114
H8	2.5989	2.0780	1.1113	2.1761	3.5964	2.9984	2.4048		1.7866	2.5152	3.0916	2.5230
H9	2.5989	2.0780	1.1113	2.1761	3.5964	2.4048	2.9984	1.7866		2.5152	2.5230	3.0916
H10	4.4875	3.3415	2.1707	1.1027	5.3511	4.7238	4.7238	2.5152	2.5152		1.7926	1.7926
H11	3.9589	2.6404	2.1657	1.1023	4.5665	4.2114	4.5764	3.0916	2.5230	1.7926		1.7871
H12	3.9589	2.6404	2.1657	1.1023	4.5665	4.5764	4.2114	2.5230	3.0916	1.7926	1.7871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.590	O2	C1	H5	107.674
O2	C1	H6	111.788	O2	C1	H7	111.788
O2	C3	C4	108.290	O2	C3	H8	110.321
O2	C3	H9	110.321	C3	C4	H10	110.552
C3	C4	H11	110.182	C3	C4	H12	110.182
C4	C3	H8	110.464	C4	C3	H9	110.464
H5	C1	H6	108.765	H5	C1	H7	108.765
H6	C1	H7	107.986	H8	C3	H9	106.990
H10	C4	H11	108.773	H10	C4	H12	108.773
H11	C4	H12	108.323

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

using model chemistry: MP3/cc-pVDZ

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

using model chemistry: MP3/cc-pVDZ

States and conformations

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