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	hartrees
Energy at 0K	-193.457906
Energy at 298.15K	-193.466789
HF Energy	-193.015448
Nuclear repulsion energy	130.827108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	3009	28.07
2	A'	3106	2981	30.33
3	A'	3031	2908	17.72
4	A'	2989	2868	51.89
5	A'	2973	2852	33.37
6	A'	1582	1518	0.75
7	A'	1557	1494	3.13
8	A'	1553	1490	8.30
9	A'	1506	1445	0.31
10	A'	1474	1414	13.10
11	A'	1441	1382	23.11
12	A'	1231	1181	21.62
13	A'	1136	1090	17.97
14	A'	1112	1067	71.66
15	A'	1023	982	13.11
16	A'	838	804	11.89
17	A'	460	442	1.19
18	A'	281	270	4.34
19	A"	3121	2995	32.25
20	A"	3046	2923	63.86
21	A"	3005	2884	58.83
22	A"	1540	1478	5.50
23	A"	1539	1477	4.61
24	A"	1317	1264	0.05
25	A"	1211	1162	10.68
26	A"	1164	1117	0.38
27	A"	852	817	0.31
28	A"	255	244	2.84
29	A"	197	189	2.70
30	A"	106	102	5.11

Atom	x (Å)	y (Å)	z (Å)
C1	1.339	1.300	0.000
O2	0.000	0.717	0.000
C3	0.008	-0.748	0.000
C4	-1.453	-1.208	0.000
H5	1.194	2.388	0.000
H6	1.905	1.000	0.900
H7	1.905	1.000	-0.900
H8	0.545	-1.118	-0.895
H9	0.545	-1.118	0.895
H10	-1.513	-2.309	0.000
H11	-1.970	-0.824	0.893
H12	-1.970	-0.824	-0.893

	C1	O2	C3	C4	H5	H6	H7	H8	H9	H10	H11	H12
C1		1.4601	2.4424	3.7533	1.0970	1.1054	1.1054	2.6977	2.6977	4.5998	4.0316	4.0316
O2	1.4601		1.4647	2.4121	2.0533	2.1259	2.1259	2.1130	2.1130	3.3832	2.6554	2.6554
C3	2.4424	1.4647		1.5320	3.3521	2.7319	2.7319	1.1077	1.1077	2.1795	2.1709	2.1709
C4	3.7533	2.4121	1.5320		4.4650	4.1187	4.1187	2.1918	2.1918	1.1027	1.1006	1.1006
H5	1.0970	2.0533	3.3521	4.4650		1.8009	1.8009	3.6755	3.6755	5.4208	4.5954	4.5954
H6	1.1054	2.1259	2.7319	4.1187	1.8009		1.8006	3.0912	2.5164	4.8415	4.2824	4.6426
H7	1.1054	2.1259	2.7319	4.1187	1.8009	1.8006		2.5164	3.0912	4.8415	4.6426	4.2824
H8	2.6977	2.1130	1.1077	2.1918	3.6755	3.0912	2.5164		1.7903	2.5408	3.0996	2.5319
H9	2.6977	2.1130	1.1077	2.1918	3.6755	2.5164	3.0912	1.7903		2.5408	2.5319	3.0996
H10	4.5998	3.3832	2.1795	1.1027	5.4208	4.8415	4.8415	2.5408	2.5408		1.7922	1.7922
H11	4.0316	2.6554	2.1709	1.1006	4.5954	4.2824	4.6426	3.0996	2.5319	1.7922		1.7857
H12	4.0316	2.6554	2.1709	1.1006	4.5954	4.6426	4.2824	2.5319	3.0996	1.7922	1.7857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	113.244	O2	C1	H5	105.956
O2	C1	H6	111.171	O2	C1	H7	111.171
O2	C3	C4	107.189	O2	C3	H8	109.669
O2	C3	H9	109.669	C3	C4	H10	110.573
C3	C4	H11	110.028	C3	C4	H12	110.028
C4	C3	H8	111.245	C4	C3	H9	111.245
H5	C1	H6	109.714	H5	C1	H7	109.714
H6	C1	H7	109.070	H8	C3	H9	107.819
H10	C4	H11	108.866	H10	C4	H12	108.866
H11	C4	H12	108.435

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

using model chemistry: CCD/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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All results from a given calculation for CH3OC2H5 (Ethane, methoxy-)

using model chemistry: CCD/6-31G

States and conformations

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