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	hartrees
Energy at 0K	-285.728607
Energy at 298.15K	-285.737524
HF Energy	-284.849202
Nuclear repulsion energy	240.939444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3235	3036	4.39
2	A	3130	2938	41.02
3	A	3120	2929	9.45
4	A	3119	2927	29.44
5	A	1830	1718	120.36
6	A	1593	1495	1.28
7	A	1567	1471	0.09
8	A	1542	1448	7.59
9	A	1480	1389	47.19
10	A	1426	1339	16.18
11	A	1389	1303	12.56
12	A	1308	1228	104.11
13	A	1129	1060	4.34
14	A	1081	1015	78.78
15	A	1024	961	0.55
16	A	985	925	25.08
17	A	942	884	20.86
18	A	777	729	6.26
19	A	678	636	3.82
20	A	354	333	6.11
21	A	3191	2995	6.91
22	A	3183	2987	41.93
23	A	3156	2962	3.79
24	A	1533	1439	9.14
25	A	1284	1205	0.12
26	A	1252	1175	1.77
27	A	1155	1084	0.00
28	A	1098	1031	3.01
29	A	861	808	0.66
30	A	599	562	6.84
31	A	244	229	10.87
32	A	149	140	0.99
33	A	24	22	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.345	2.127	0.000
C2	0.540	-1.503	0.000
C3	-0.991	-1.286	0.000
N4	-1.168	0.176	0.000
O5	1.080	-0.165	0.000
C6	0.000	0.677	0.000
H7	0.908	-2.020	0.890
H8	0.908	-2.020	-0.890
H9	-1.476	-1.713	0.883
H10	-1.476	-1.713	-0.883
H11	0.943	2.369	0.884
H12	0.943	2.369	-0.884
H13	-0.572	2.716	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6357	3.6651	2.4689	2.4068	1.4903	4.2792	4.2792	4.3410	4.3410	1.0938	1.0938	1.0898
C2	3.6357		1.5466	2.3953	1.4432	2.2464	1.0933	1.0933	2.2114	2.2114	3.9916	3.9916	4.3635
C3	3.6651	1.5466		1.4724	2.3548	2.1991	2.2221	2.2221	1.0945	1.0945	4.2277	4.2277	4.0238
N4	2.4689	2.3953	1.4724		2.2733	1.2710	3.1504	3.1504	2.1079	2.1079	3.1689	3.1689	2.6091
O5	2.4068	1.4432	2.3548	2.2733		1.3692	2.0653	2.0653	3.1162	3.1162	2.6864	2.6864	3.3208
C6	1.4903	2.2464	2.1991	1.2710	1.3692		2.9822	2.9822	2.9450	2.9450	2.1282	2.1282	2.1176
H7	4.2792	1.0933	2.2221	3.1504	2.0653	2.9822		1.7807	2.4039	2.9873	4.3889	4.7339	5.0415
H8	4.2792	1.0933	2.2221	3.1504	2.0653	2.9822	1.7807		2.9873	2.4039	4.7339	4.3889	5.0415
H9	4.3410	2.2114	1.0945	2.1079	3.1162	2.9450	2.4039	2.9873		1.7663	4.7444	5.0628	4.6060
H10	4.3410	2.2114	1.0945	2.1079	3.1162	2.9450	2.9873	2.4039	1.7663		5.0628	4.7444	4.6060
H11	1.0938	3.9916	4.2277	3.1689	2.6864	2.1282	4.3889	4.7339	4.7444	5.0628		1.7673	1.7878
H12	1.0938	3.9916	4.2277	3.1689	2.6864	2.1282	4.7339	4.3889	5.0628	4.7444	1.7673		1.7878
H13	1.0898	4.3635	4.0238	2.6091	3.3208	2.1176	5.0415	5.0415	4.6060	4.6060	1.7878	1.7878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.606	C1	C6	O5	114.572
C2	C3	N4	104.982	C2	C3	H9	112.589
C2	C3	H10	112.589	C2	O5	C6	105.996
C3	C2	O5	103.870	C3	C2	H7	113.539
C3	C2	H8	113.539	C3	N4	C6	106.330
N4	C3	H9	109.525	N4	C3	H10	109.525
N4	C6	O5	118.822	O5	C2	H7	108.238
O5	C2	H8	108.238	C6	C1	H11	109.940
C6	C1	H12	109.940	C6	C1	H13	109.335
H7	C2	H8	109.060	H9	C3	H10	107.584
H11	C1	H12	107.780	H11	C1	H13	109.914
H12	C1	H13	109.914

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

using model chemistry: MP3/6-31G*

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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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: MP3/6-31G*

States and conformations

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