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	hartrees
Energy at 0K	-284.954480
Energy at 298.15K	-284.963766
Nuclear repulsion energy	243.785383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3289	2994	10.23
2	A	3208	2920	71.87
3	A	3185	2899	56.26
4	A	3181	2895	14.83
5	A	1914	1742	231.58
6	A	1663	1513	2.42
7	A	1637	1490	0.38
8	A	1594	1451	9.05
9	A	1554	1414	53.94
10	A	1513	1377	8.00
11	A	1472	1340	22.17
12	A	1367	1244	134.57
13	A	1189	1083	9.61
14	A	1137	1035	108.73
15	A	1077	980	0.74
16	A	1030	937	32.25
17	A	992	902	16.20
18	A	826	752	7.50
19	A	702	639	2.69
20	A	375	342	6.57
21	A	3250	2958	60.99
22	A	3235	2944	15.13
23	A	3208	2920	11.56
24	A	1595	1452	7.13
25	A	1357	1235	0.01
26	A	1329	1209	4.74
27	A	1228	1117	0.17
28	A	1165	1060	3.09
29	A	899	819	1.20
30	A	669	609	8.12
31	A	260	237	10.84
32	A	161	146	0.81
33	A	75	68	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.337	2.116	0.000
C2	0.542	-1.487	0.000
C3	-0.983	-1.278	0.000
N4	-1.143	0.169	0.000
O5	1.055	-0.162	0.000
C6	0.000	0.667	0.000
H7	0.907	-1.997	0.879
H8	0.907	-1.997	-0.879
H9	-1.459	-1.706	0.873
H10	-1.459	-1.706	-0.873
H11	0.930	2.354	0.875
H12	0.930	2.354	-0.875
H13	-0.568	2.702	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6093	3.6427	2.4459	2.3888	1.4878	4.2454	4.2454	4.3131	4.3131	1.0829	1.0829	1.0778
C2	3.6093		1.5399	2.3626	1.4206	2.2216	1.0804	1.0804	2.1945	2.1945	3.9580	3.9580	4.3334
C3	3.6427	1.5399		1.4562	2.3240	2.1802	2.2056	2.2056	1.0823	1.0823	4.1974	4.1974	4.0019
N4	2.4459	2.3626	1.4562		2.2224	1.2468	3.1096	3.1096	2.0927	2.0927	3.1359	3.1359	2.5972
O5	2.3888	1.4206	2.3240	2.2224		1.3418	2.0407	2.0407	3.0769	3.0769	2.6663	2.6663	3.2916
C6	1.4878	2.2216	2.1802	1.2468	1.3418		2.9492	2.9492	2.9200	2.9200	2.1150	2.1150	2.1122
H7	4.2454	1.0804	2.2056	3.1096	2.0407	2.9492		1.7589	2.3842	2.9588	4.3512	4.6914	5.0033
H8	4.2454	1.0804	2.2056	3.1096	2.0407	2.9492	1.7589		2.9588	2.3842	4.6914	4.3512	5.0033
H9	4.3131	2.1945	1.0823	2.0927	3.0769	2.9200	2.3842	2.9588		1.7457	4.7109	5.0245	4.5814
H10	4.3131	2.1945	1.0823	2.0927	3.0769	2.9200	2.9588	2.3842	1.7457		5.0245	4.7109	4.5814
H11	1.0829	3.9580	4.1974	3.1359	2.6663	2.1150	4.3512	4.6914	4.7109	5.0245		1.7493	1.7691
H12	1.0829	3.9580	4.1974	3.1359	2.6663	2.1150	4.6914	4.3512	5.0245	4.7109	1.7493		1.7691
H13	1.0778	4.3334	4.0019	2.5972	3.2916	2.1122	5.0033	5.0033	4.5814	4.5814	1.7691	1.7691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.654	C1	C6	O5	115.086
C2	C3	N4	104.066	C2	C3	H9	112.458
C2	C3	H10	112.458	C2	O5	C6	107.031
C3	C2	O5	103.366	C3	C2	H7	113.490
C3	C2	H8	113.490	C3	N4	C6	107.277
N4	C3	H9	110.180	N4	C3	H10	110.180
N4	C6	O5	118.260	O5	C2	H7	108.594
O5	C2	H8	108.594	C6	C1	H11	109.714
C6	C1	H12	109.714	C6	C1	H13	109.800
H7	C2	H8	108.985	H9	C3	H10	107.500
H11	C1	H12	107.736	H11	C1	H13	109.923
H12	C1	H13	109.923

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

using model chemistry: HF/cc-pVTZ

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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Number	Element	Mulliken	ESP
1	C	-0.264	-0.677
2	C	0.021	0.083
3	C	-0.068	0.274
4	N	-0.290	-0.736
5	O	-0.330	-0.446
6	C	0.234	0.866
7	H	0.089	0.041
8	H	0.089	0.041
9	H	0.091	0.002
10	H	0.091	0.002
11	H	0.106	0.182
12	H	0.106	0.182
13	H	0.125	0.184

	x	y	z	Total
	1.076	-0.878	0.000	1.389
CHELPG
AIM
ESP	1.059	-0.952	0.000	1.423

	x	y	z
x	7.635	0.686	0.000
y	0.686	8.931	0.000
z	0.000	0.000	5.999

<r²>	146.235
(<r²>)^1/2	12.093

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

using model chemistry: HF/cc-pVTZ

States and conformations

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