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	hartrees
Energy at 0K	-285.078368
Energy at 298.15K	-285.087107
Nuclear repulsion energy	241.901005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3130	3095	0.19
2	A	3070	3036	1.31
3	A	3031	2998	27.31
4	A	2999	2966	9.10
5	A	2993	2960	5.08
6	A	2976	2944	38.06
7	A	2963	2930	37.19
8	A	1746	1726	129.34
9	A	1434	1418	22.16
10	A	1400	1385	1.12
11	A	1387	1372	43.30
12	A	1367	1352	12.49
13	A	1361	1346	63.29
14	A	1305	1290	2.10
15	A	1264	1250	2.91
16	A	1220	1207	47.34
17	A	1181	1168	1.09
18	A	1160	1147	1.24
19	A	1073	1061	18.64
20	A	1065	1053	0.01
21	A	1045	1034	86.37
22	A	997	987	5.07
23	A	977	967	1.60
24	A	943	933	7.66
25	A	900	890	17.13
26	A	799	790	1.15
27	A	745	737	4.48
28	A	673	665	2.96
29	A	579	572	2.64
30	A	335	332	5.29
31	A	233	230	9.76
32	A	135	134	1.46
33	A	33	33	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-2.136	0.011	0.003
C2	1.378	-0.774	0.022
C3	1.415	0.762	-0.016
N4	0.026	1.177	0.015
O5	-0.017	-1.087	-0.024
C6	-0.667	0.105	0.001
H7	1.876	-1.260	-0.843
H8	1.802	-1.204	0.955
H9	1.905	1.158	-0.934
H10	1.968	1.200	0.844
H11	-2.488	-0.537	-0.895
H12	-2.485	-0.561	0.887
H13	-2.571	1.026	0.017

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6011	3.6303	2.4567	2.3872	1.4726	4.2931	4.2301	4.3040	4.3544	1.1093	1.1093	1.1038
C2	3.6011		1.5370	2.3735	1.4306	2.2258	1.1101	1.1116	2.2190	2.2179	3.9802	3.9647	4.3396
C3	3.6303	1.5370		1.4502	2.3392	2.1834	2.2330	2.2271	1.1130	1.1117	4.2067	4.2169	3.9950
N4	2.4567	2.3735	1.4502		2.2649	1.2764	3.1777	3.1158	2.1047	2.1110	3.1759	3.1763	2.6013
O5	2.3872	1.4306	2.3392	2.2649		1.3580	2.0696	2.0691	3.0923	3.1500	2.6769	2.6831	3.3148
C6	1.4726	2.2258	2.1834	1.2764	1.3580		3.0067	2.9529	2.9317	2.9746	2.1286	2.1300	2.1151
H7	4.2931	1.1101	2.2330	3.1777	2.0696	3.0067		1.8003	2.4205	2.9845	4.4236	4.7434	5.0733
H8	4.2301	1.1116	2.2271	3.1158	2.0691	2.9529	1.8003		3.0267	2.4126	4.7191	4.3357	4.9974
H9	4.3040	2.2190	1.1130	2.1047	3.0923	2.9317	2.4205	3.0267		1.7795	4.7086	5.0542	4.5773
H10	4.3544	2.2179	1.1117	2.1110	3.1500	2.9746	2.9845	2.4126	1.7795		5.0883	4.7886	4.6161
H11	1.1093	3.9802	4.2067	3.1759	2.6769	2.1286	4.4236	4.7191	4.7086	5.0883		1.7818	1.8114
H12	1.1093	3.9647	4.2169	3.1763	2.6831	2.1300	4.7434	4.3357	5.0542	4.7886	1.7818		1.8119
H13	1.1038	4.3396	3.9950	2.6013	3.3148	2.1151	5.0733	4.9974	4.5773	4.6161	1.8114	1.8119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.525	C1	C6	O5	114.932
C2	C3	N4	105.192	C2	C3	H9	112.747
C2	C3	H10	112.735	C2	O5	C6	105.884
C3	C2	O5	103.990	C3	C2	H7	114.069
C3	C2	H8	113.488	C3	N4	C6	106.234
N4	C3	H9	109.697	N4	C3	H10	110.271
N4	C6	O5	118.542	O5	C2	H7	108.431
O5	C2	H8	108.305	C6	C1	H11	110.266
C6	C1	H12	110.376	C6	C1	H13	109.526
H7	C2	H8	108.256	H9	C3	H10	106.234
H11	C1	H12	106.858	H11	C1	H13	109.868
H12	C1	H13	109.915

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

using model chemistry: LSDA/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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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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Number	Element	Mulliken
1	C	-0.098
2	C	-0.009
3	C	-0.081
4	N	-0.189
5	O	-0.198
6	C	0.003
7	H	0.074
8	H	0.074
9	H	0.073
10	H	0.072
11	H	0.095
12	H	0.095
13	H	0.090

	x	y	z	Total
	0.571	-1.105	-0.001	1.243
CHELPG
AIM
ESP

	x	y	z
x	9.838	0.391	-0.007
y	0.391	7.529	-0.026
z	-0.007	-0.026	5.931

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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