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	hartrees
Energy at 0K	-193.834355
Energy at 298.15K	-193.843346
HF Energy	-193.174032
Nuclear repulsion energy	133.900126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3029	26.36
2	A'	3186	3020	22.23
3	A'	3095	2934	15.56
4	A'	3037	2879	77.17
5	A'	3022	2864	39.55
6	A'	1561	1480	0.77
7	A'	1535	1455	5.72
8	A'	1527	1448	4.30
9	A'	1509	1431	0.27
10	A'	1460	1384	36.45
11	A'	1421	1347	2.28
12	A'	1263	1197	36.61
13	A'	1180	1119	133.16
14	A'	1138	1079	3.74
15	A'	1057	1002	19.84
16	A'	887	840	13.83
17	A'	475	450	0.53
18	A'	295	280	2.70
19	A"	3196	3030	23.10
20	A"	3101	2939	52.52
21	A"	3064	2904	63.35
22	A"	1505	1426	6.78
23	A"	1501	1422	4.26
24	A"	1314	1246	2.17
25	A"	1224	1160	9.92
26	A"	1186	1124	0.00
27	A"	841	797	0.02
28	A"	267	253	2.23
29	A"	216	205	1.89
30	A"	99	94	2.57

Atom	x (Å)	y (Å)	z (Å)
C1	1.318	1.228	0.000
O2	0.001	0.720	0.000
C3	0.000	-0.695	0.000
C4	-1.432	-1.176	0.000
H5	1.247	2.313	0.000
H6	1.869	0.905	0.890
H7	1.869	0.905	-0.890
H8	0.531	-1.068	-0.886
H9	0.531	-1.068	0.886
H10	-1.463	-2.266	0.000
H11	-1.952	-0.813	0.885
H12	-1.952	-0.813	-0.885

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4116	2.3315	3.6523	1.0872	1.0960	1.0960	2.5837	2.5837	4.4649	3.9551	3.9551
O2	1.4116		1.4159	2.3764	2.0222	2.0783	2.0783	2.0654	2.0654	3.3253	2.6360	2.6360
C3	2.3315	1.4159		1.5105	3.2565	2.6168	2.6168	1.0984	1.0984	2.1458	2.1469	2.1469
C4	3.6523	2.3764	1.5105		4.3985	4.0025	4.0025	2.1568	2.1568	1.0905	1.0889	1.0889
H5	1.0872	2.0222	3.2565	4.3985		1.7784	1.7784	3.5676	3.5676	5.3201	4.5596	4.5596
H6	1.0960	2.0783	2.6168	4.0025	1.7784		1.7804	2.9729	2.3838	4.6846	4.1901	4.5506
H7	1.0960	2.0783	2.6168	4.0025	1.7784	1.7804		2.3838	2.9729	4.6846	4.5506	4.1901
H8	2.5837	2.0654	1.0984	2.1568	3.5676	2.9729	2.3838		1.7723	2.4889	3.0612	2.4968
H9	2.5837	2.0654	1.0984	2.1568	3.5676	2.3838	2.9729	1.7723		2.4889	2.4968	3.0612
H10	4.4649	3.3253	2.1458	1.0905	5.3201	4.6846	4.6846	2.4889	2.4889		1.7703	1.7703
H11	3.9551	2.6360	2.1469	1.0889	4.5596	4.1901	4.5506	3.0612	2.4968	1.7703		1.7701
H12	3.9551	2.6360	2.1469	1.0889	4.5596	4.5506	4.1901	2.4968	3.0612	1.7703	1.7701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.089	O2	C1	H5	107.334
O2	C1	H6	111.325	O2	C1	H7	111.325
O2	C3	C4	108.558	O2	C3	H8	109.821
O2	C3	H9	109.821	C3	C4	H10	110.134
C3	C4	H11	110.314	C3	C4	H12	110.314
C4	C3	H8	110.533	C4	C3	H9	110.533
H5	C1	H6	109.092	H5	C1	H7	109.092
H6	C1	H7	108.625	H8	C3	H9	107.572
H10	C4	H11	108.646	H10	C4	H12	108.646
H11	C4	H12	108.739

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

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

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