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	hartrees
Energy at 0K	-286.498804
Energy at 298.15K	-286.507733
Nuclear repulsion energy	241.234048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3196	3058	4.68
2	A	3082	2949	49.99
3	A	3075	2942	8.82
4	A	3064	2931	45.24
5	A	1771	1694	141.37
6	A	1553	1485	1.58
7	A	1526	1460	0.18
8	A	1502	1436	9.63
9	A	1440	1377	47.60
10	A	1396	1336	13.59
11	A	1353	1294	13.86
12	A	1270	1215	105.05
13	A	1101	1053	2.83
14	A	1045	1000	91.43
15	A	997	954	1.46
16	A	962	920	19.86
17	A	924	884	18.02
18	A	762	729	5.45
19	A	669	640	2.59
20	A	349	334	5.94
21	A	3141	3005	7.92
22	A	3132	2997	45.13
23	A	3096	2962	8.44
24	A	1499	1434	9.75
25	A	1260	1206	0.05
26	A	1229	1176	1.31
27	A	1130	1081	0.01
28	A	1072	1026	4.37
29	A	839	802	0.19
30	A	596	571	5.53
31	A	238	228	10.64
32	A	140	134	1.04
33	A	79	75	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.334	2.125	0.000
C2	0.546	-1.498	0.000
C3	-0.986	-1.284	0.000
N4	-1.167	0.168	0.000
O5	1.079	-0.160	0.000
C6	0.000	0.675	0.000
H7	0.919	-2.014	0.890
H8	0.919	-2.014	-0.890
H9	-1.471	-1.719	0.882
H10	-1.471	-1.719	-0.882
H11	0.932	2.377	0.883
H12	0.932	2.377	-0.883
H13	-0.585	2.712	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6293	3.6564	2.4668	2.4038	1.4883	4.2744	4.2744	4.3379	4.3379	1.0954	1.0954	1.0905
C2	3.6293		1.5474	2.3898	1.4398	2.2403	1.0947	1.0947	2.2128	2.2128	3.9930	3.9930	4.3594
C3	3.6564	1.5474		1.4636	2.3515	2.1935	2.2261	2.2261	1.0967	1.0967	4.2268	4.2268	4.0166
N4	2.4668	2.3898	1.4636		2.2702	1.2726	3.1476	3.1476	2.1054	2.1054	3.1727	3.1727	2.6100
O5	2.4038	1.4398	2.3515	2.2702		1.3644	2.0630	2.0630	3.1163	3.1163	2.6907	2.6907	3.3196
C6	1.4883	2.2403	2.1935	1.2726	1.3644		2.9780	2.9780	2.9452	2.9452	2.1320	2.1320	2.1197
H7	4.2744	1.0947	2.2261	3.1476	2.0630	2.9780		1.7807	2.4079	2.9902	4.3916	4.7360	5.0393
H8	4.2744	1.0947	2.2261	3.1476	2.0630	2.9780	1.7807		2.9902	2.4079	4.7360	4.3916	5.0393
H9	4.3379	2.2128	1.0967	2.1054	3.1163	2.9452	2.4079	2.9902		1.7649	4.7492	5.0666	4.6045
H10	4.3379	2.2128	1.0967	2.1054	3.1163	2.9452	2.9902	2.4079	1.7649		5.0666	4.7492	4.6045
H11	1.0954	3.9930	4.2268	3.1727	2.6907	2.1320	4.3916	4.7360	4.7492	5.0666		1.7655	1.7866
H12	1.0954	3.9930	4.2268	3.1727	2.6907	2.1320	4.7360	4.3916	5.0666	4.7492	1.7655		1.7866
H13	1.0905	4.3594	4.0166	2.6100	3.3196	2.1197	5.0393	5.0393	4.6045	4.6045	1.7866	1.7866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.439	C1	C6	O5	114.769
C2	C3	N4	105.031	C2	C3	H9	112.511
C2	C3	H10	112.511	C2	O5	C6	106.021
C3	C2	O5	103.787	C3	C2	H7	113.719
C3	C2	H8	113.719	C3	N4	C6	106.369
N4	C3	H9	109.813	N4	C3	H10	109.813
N4	C6	O5	118.792	O5	C2	H7	108.200
O5	C2	H8	108.200	C6	C1	H11	110.281
C6	C1	H12	110.281	C6	C1	H13	109.594
H7	C2	H8	108.849	H9	C3	H10	107.159
H11	C1	H12	107.385	H11	C1	H13	109.635
H12	C1	H13	109.635

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

using model chemistry: B3PW91/6-31G*

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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Number	Element	Mulliken	ESP
1	C	-0.583	0.077
2	C	-0.105	0.077
3	C	-0.235	-0.022
4	N	-0.450	0.040
5	O	-0.479	0.040
6	C	0.522	0.163
7	H	0.179	-0.658
8	H	0.179	-0.392
9	H	0.182	0.815
10	H	0.182	0.198
11	H	0.200	0.200
12	H	0.200	0.198
13	H	0.211	-0.736

	x	y	z	Total
	0.983	-0.899	0.000	1.332
CHELPG
AIM
ESP	-0.798	-1.115	-0.001	1.371

<r²>	147.969
(<r²>)^1/2	12.164

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

using model chemistry: B3PW91/6-31G*

States and conformations

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