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	hartrees
Energy at 0K	-283.505067
Energy at 298.15K	-283.513890
HF Energy	-283.505067
Nuclear repulsion energy	238.835009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3131	3074	0.31
2	A	3015	2961	24.76
3	A	3006	2952	23.38
4	A	3006	2952	2.42
5	A	1696	1666	94.93
6	A	1507	1480	4.77
7	A	1482	1455	5.19
8	A	1470	1444	12.52
9	A	1391	1366	45.11
10	A	1328	1304	18.90
11	A	1280	1257	0.15
12	A	1225	1202	101.38
13	A	1061	1041	2.45
14	A	965	948	52.05
15	A	924	907	0.64
16	A	905	889	37.44
17	A	873	857	19.32
18	A	737	724	9.10
19	A	665	653	3.55
20	A	322	317	5.80
21	A	3073	3017	23.86
22	A	3070	3014	1.13
23	A	3045	2990	0.32
24	A	1473	1446	16.24
25	A	1230	1208	0.08
26	A	1167	1146	0.01
27	A	1075	1056	3.92
28	A	1056	1037	4.92
29	A	813	798	0.33
30	A	569	559	2.80
31	A	232	228	14.30
32	A	128	126	1.75
33	A	109	107	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.332	2.136	0.000
C2	0.552	-1.516	0.000
C3	-0.997	-1.300	0.000
N4	-1.167	0.172	0.000
O5	1.090	-0.152	0.000
C6	0.000	0.696	0.000
H7	0.909	-2.046	0.899
H8	0.909	-2.046	-0.899
H9	-1.480	-1.734	0.892
H10	-1.480	-1.734	-0.892
H11	0.934	2.382	0.891
H12	0.934	2.382	-0.891
H13	-0.601	2.714	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6581	3.6840	2.4702	2.4101	1.4777	4.3157	4.3157	4.3654	4.3654	1.1032	1.1032	1.0975
C2	3.6581		1.5637	2.4093	1.4657	2.2795	1.1026	1.1026	2.2297	2.2297	4.0166	4.0166	4.3839
C3	3.6840	1.5637		1.4824	2.3814	2.2311	2.2346	2.2346	1.1032	1.1032	4.2521	4.2521	4.0336
N4	2.4702	2.4093	1.4824		2.2797	1.2789	3.1678	3.1678	2.1281	2.1281	3.1764	3.1764	2.6038
O5	2.4101	1.4657	2.3814	2.2797		1.3808	2.1038	2.1038	3.1465	3.1465	2.6909	2.6909	3.3274
C6	1.4777	2.2795	2.2311	1.2789	1.3808		3.0248	3.0248	2.9818	2.9818	2.1236	2.1236	2.1055
H7	4.3157	1.1026	2.2346	3.1678	2.1038	3.0248		1.7977	2.4085	3.0012	4.4278	4.7760	5.0734
H8	4.3157	1.1026	2.2346	3.1678	2.1038	3.0248	1.7977		3.0012	2.4085	4.7760	4.4278	5.0734
H9	4.3654	2.2297	1.1032	2.1281	3.1465	2.9818	2.4085	3.0012		1.7836	4.7718	5.0941	4.6212
H10	4.3654	2.2297	1.1032	2.1281	3.1465	2.9818	3.0012	2.4085	1.7836		5.0941	4.7718	4.6212
H11	1.1032	4.0166	4.2521	3.1764	2.6909	2.1236	4.4278	4.7760	4.7718	5.0941		1.7826	1.8053
H12	1.1032	4.0166	4.2521	3.1764	2.6909	2.1236	4.7760	4.4278	5.0941	4.7718	1.7826		1.8053
H13	1.0975	4.3839	4.0336	2.6038	3.3274	2.1055	5.0734	5.0734	4.6212	4.6212	1.8053	1.8053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	127.152	C1	C6	O5	114.905
C2	C3	N4	104.513	C2	C3	H9	112.300
C2	C3	H10	112.300	C2	O5	C6	106.379
C3	C2	O5	103.594	C3	C2	H7	112.728
C3	C2	H8	112.728	C3	N4	C6	107.572
N4	C3	H9	109.916	N4	C3	H10	109.916
N4	C6	O5	117.943	O5	C2	H7	109.183
O5	C2	H8	109.183	C6	C1	H11	109.883
C6	C1	H12	109.883	C6	C1	H13	108.798
H7	C2	H8	109.213	H9	C3	H10	107.871
H11	C1	H12	107.791	H11	C1	H13	110.239
H12	C1	H13	110.239

All results from a given calculation for C₄H₇NO (Oxazole, 4,5-dihydro-2-methyl-)

using model chemistry: SVWN/3-21G

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for C4H7NO (Oxazole, 4,5-dihydro-2-methyl-)

using model chemistry: SVWN/3-21G

States and conformations

All results from a given calculation for C₄H₇NO (Oxazole, 4,5-dihydro-2-methyl-)