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	hartrees
Energy at 0K	-284.972770
Energy at 298.15K	-284.981611
Nuclear repulsion energy	239.255938

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3143	3079	1.11
2	A	3087	3025	25.65
3	A	3084	3021	2.45
4	A	3050	2988	4.06
5	A	3026	2965	29.08
6	A	3009	2948	30.93
7	A	3008	2947	0.52
8	A	1718	1683	115.58
9	A	1498	1467	6.58
10	A	1478	1448	2.70
11	A	1455	1426	13.66
12	A	1452	1423	17.55
13	A	1400	1372	51.96
14	A	1337	1310	19.14
15	A	1301	1274	0.08
16	A	1245	1220	93.39
17	A	1217	1192	0.09
18	A	1167	1144	0.19
19	A	1095	1072	0.53
20	A	1070	1049	6.46
21	A	1054	1033	7.70
22	A	962	943	55.97
23	A	958	938	0.33
24	A	931	912	36.44
25	A	880	862	22.62
26	A	828	811	0.19
27	A	742	727	7.70
28	A	670	656	3.96
29	A	577	566	4.57
30	A	341	334	7.77
31	A	239	234	15.41
32	A	130	128	1.82
33	A	88	86	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	-2.156	0.007	0.000
C2	1.417	-0.771	0.000
C3	1.433	0.774	-0.000
N4	0.015	1.183	0.000
O5	-0.016	-1.109	-0.000
C6	-0.692	0.110	0.000
H7	1.869	-1.220	-0.899
H8	1.869	-1.220	0.899
H9	1.936	1.193	-0.889
H10	1.936	1.193	0.889
H11	-2.506	-0.547	-0.888
H12	-2.506	-0.547	0.888
H13	-2.592	1.015	-0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6565	3.6699	2.4692	2.4129	1.4667	4.3024	4.3024	4.3519	4.3519	1.1037	1.1037	1.0984
C2	3.6565		1.5449	2.4049	1.4726	2.2861	1.1019	1.1019	2.2170	2.2170	4.0291	4.0291	4.3891
C3	3.6699	1.5449		1.4758	2.3760	2.2272	2.2301	2.2301	1.1040	1.1040	4.2492	4.2492	4.0327
N4	2.4692	2.4049	1.4758		2.2922	1.2860	3.1653	3.1652	2.1166	2.1166	3.1848	3.1848	2.6131
O5	2.4129	1.4726	2.3760	2.2922		1.3936	2.0915	2.0915	3.1461	3.1462	2.7028	2.7029	3.3385
C6	1.4667	2.2861	2.2272	1.2860	1.3936		3.0228	3.0228	2.9788	2.9788	2.1237	2.1237	2.1043
H7	4.3024	1.1019	2.2301	3.1653	2.0915	3.0228		1.7983	2.4134	3.0037	4.4270	4.7739	5.0700
H8	4.3024	1.1019	2.2301	3.1652	2.0915	3.0228	1.7983		3.0037	2.4134	4.7739	4.4269	5.0699
H9	4.3519	2.2170	1.1040	2.1166	3.1461	2.9788	2.4134	3.0037		1.7783	4.7713	5.0913	4.6182
H10	4.3519	2.2170	1.1040	2.1166	3.1462	2.9788	3.0037	2.4134	1.7783		5.0914	4.7713	4.6183
H11	1.1037	4.0291	4.2492	3.1848	2.7028	2.1237	4.4270	4.7739	4.7713	5.0914		1.7751	1.7987
H12	1.1037	4.0291	4.2492	3.1848	2.7029	2.1237	4.7739	4.4269	5.0913	4.7713	1.7751		1.7987
H13	1.0984	4.3891	4.0327	2.6131	3.3385	2.1043	5.0700	5.0699	4.6182	4.6183	1.7987	1.7987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	127.418	C1	C6	O5	115.021
C2	C3	N4	105.504	C2	C3	H9	112.580
C2	C3	H10	112.580	C2	O5	C6	105.772
C3	C2	O5	103.862	C3	C2	H7	113.775
C3	C2	H8	113.775	C3	N4	C6	107.300
N4	C3	H9	109.418	N4	C3	H10	109.419
N4	C6	O5	117.561	O5	C2	H7	107.792
O5	C2	H8	107.792	C6	C1	H11	110.632
C6	C1	H12	110.633	C6	C1	H13	109.407
H7	C2	H8	109.377	H9	C3	H10	107.299
H11	C1	H12	107.057	H11	C1	H13	109.538
H12	C1	H13	109.538

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

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	-0.540
2	C	-0.142
3	C	-0.292
4	N	-0.285
5	O	-0.433
6	C	0.298
7	H	0.193
8	H	0.193
9	H	0.196
10	H	0.196
11	H	0.204
12	H	0.204
13	H	0.208

	x	y	z	Total
	0.967	-0.930	0.000	1.342
CHELPG
AIM
ESP

	x	y	z
x	9.287	0.389	0.000
y	0.389	7.335	0.000
z	0.000	0.000	5.492

<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/6-31G

States and conformations

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