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	hartrees
Energy at 0K	-51.397182
Energy at 298.15K	-51.406354
Nuclear repulsion energy	130.861253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3360	3017	22.30
2	A	3276	2942	91.66
3	A	3251	2919	67.39
4	A	3248	2917	37.07
5	A	1926	1729	248.15
6	A	1670	1500	2.09
7	A	1641	1473	0.35
8	A	1606	1442	6.12
9	A	1566	1406	57.65
10	A	1515	1361	8.58
11	A	1478	1328	36.89
12	A	1366	1227	136.36
13	A	1194	1072	5.31
14	A	1149	1032	119.30
15	A	1078	968	1.46
16	A	1035	929	34.98
17	A	995	893	22.40
18	A	819	735	7.52
19	A	698	627	4.16
20	A	364	327	6.11
21	A	3330	2990	98.17
22	A	3314	2976	28.82
23	A	3288	2953	21.30
24	A	1606	1442	7.69
25	A	1355	1217	0.00
26	A	1322	1188	4.60
27	A	1214	1090	0.04
28	A	1160	1042	2.65
29	A	885	795	1.74
30	A	649	583	9.83
31	A	256	230	12.94
32	A	155	139	0.81
33	A	62	56	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.377	2.134	0.000
C2	0.505	-1.509	0.000
C3	-1.030	-1.268	0.000
N4	-1.168	0.192	0.000
O5	1.050	-0.184	0.000
C6	0.000	0.673	0.000
H7	0.864	-2.026	0.887
H8	0.864	-2.026	-0.887
H9	-1.514	-1.688	0.880
H10	-1.514	-1.688	-0.880
H11	0.978	2.354	0.882
H12	0.978	2.354	-0.882
H13	-0.523	2.742	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6445	3.6806	2.4808	2.4132	1.5084	4.2809	4.2809	4.3541	4.3541	1.0900	1.0900	1.0857
C2	3.6445		1.5536	2.3853	1.4325	2.2393	1.0873	1.0873	2.2100	2.2100	3.9904	3.9904	4.3727
C3	3.6806	1.5536		1.4662	2.3452	2.1970	2.2240	2.2240	1.0892	1.0892	4.2339	4.2339	4.0411
N4	2.4808	2.3853	1.4662		2.2491	1.2628	3.1355	3.1355	2.1050	2.1050	3.1710	3.1710	2.6297
O5	2.4132	1.4325	2.3452	2.2491		1.3552	2.0529	2.0529	3.1005	3.1005	2.6880	2.6880	3.3213
C6	1.5084	2.2393	2.1970	1.2628	1.3552		2.9693	2.9693	2.9401	2.9401	2.1356	2.1356	2.1336
H7	4.2809	1.0873	2.2240	3.1355	2.0529	2.9693		1.7731	2.4016	2.9814	4.3818	4.7253	5.0436
H8	4.2809	1.0873	2.2240	3.1355	2.0529	2.9693	1.7731		2.9814	2.4016	4.7253	4.3818	5.0436
H9	4.3541	2.2100	1.0892	2.1050	3.1005	2.9401	2.4016	2.9814		1.7603	4.7490	5.0654	4.6241
H10	4.3541	2.2100	1.0892	2.1050	3.1005	2.9401	2.9814	2.4016	1.7603		5.0654	4.7490	4.6241
H11	1.0900	3.9904	4.2339	3.1710	2.6880	2.1356	4.3818	4.7253	4.7490	5.0654		1.7644	1.7832
H12	1.0900	3.9904	4.2339	3.1710	2.6880	2.1356	4.7253	4.3818	5.0654	4.7490	1.7644		1.7832
H13	1.0857	4.3727	4.0411	2.6297	3.3213	2.1336	5.0436	5.0436	4.6241	4.6241	1.7832	1.7832

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.851	C1	C6	O5	114.754
C2	C3	N4	104.314	C2	C3	H9	112.294
C2	C3	H10	112.294	C2	O5	C6	106.858
C3	C2	O5	103.437	C3	C2	H7	113.555
C3	C2	H8	113.555	C3	N4	C6	106.997
N4	C3	H9	110.053	N4	C3	H10	110.053
N4	C6	O5	118.395	O5	C2	H7	108.337
O5	C2	H8	108.337	C6	C1	H11	109.492
C6	C1	H12	109.492	C6	C1	H13	109.587
H7	C2	H8	109.242	H9	C3	H10	107.817
H11	C1	H12	108.072	H11	C1	H13	110.087
H12	C1	H13	110.087

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

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	C	-0.193
2	C	-0.002
3	C	-0.091
4	N	0.039
5	O	-0.282
6	C	-0.358
7	H	0.130
8	H	0.130
9	H	0.121
10	H	0.121
11	H	0.119
12	H	0.119
13	H	0.147

	x	y	z	Total
	1.071	-1.066	0.000	1.511
CHELPG
AIM
ESP

	x	y	z
x	7.120	0.738	0.000
y	0.738	8.073	0.000
z	0.000	0.000	5.217

<r²>	122.784
(<r²>)^1/2	11.081

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

using model chemistry: HF/CEP-31G*

States and conformations

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