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	hartrees
Energy at 0K	-286.574220
Energy at 298.15K	-286.583151
Nuclear repulsion energy	241.415773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3202	3068	3.98
2	A	3088	2959	56.51
3	A	3075	2947	9.90
4	A	3070	2942	39.80
5	A	1766	1692	157.80
6	A	1519	1456	4.53
7	A	1493	1431	0.43
8	A	1456	1395	10.01
9	A	1414	1355	64.55
10	A	1371	1314	8.20
11	A	1334	1278	9.74
12	A	1259	1206	87.52
13	A	1096	1050	5.21
14	A	1047	1003	89.18
15	A	1000	958	2.54
16	A	964	924	18.35
17	A	925	886	25.52
18	A	764	732	5.28
19	A	672	644	2.26
20	A	352	337	6.69
21	A	3148	3017	6.55
22	A	3144	3013	35.43
23	A	3106	2976	6.79
24	A	1456	1395	8.87
25	A	1245	1193	0.09
26	A	1216	1165	2.63
27	A	1118	1072	0.08
28	A	1051	1007	2.74
29	A	833	798	0.18
30	A	601	576	4.44
31	A	241	230	11.05
32	A	137	131	0.68
33	A	56	53	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.326	2.126	0.000
C2	0.547	-1.496	0.000
C3	-0.981	-1.288	0.000
N4	-1.163	0.163	0.000
O5	1.078	-0.157	0.000
C6	0.000	0.678	0.000
H7	0.922	-2.010	0.893
H8	0.922	-2.010	-0.893
H9	-1.465	-1.722	0.884
H10	-1.465	-1.722	-0.884
H11	0.924	2.377	0.885
H12	0.924	2.377	-0.885
H13	-0.598	2.707	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6289	3.6558	2.4643	2.4029	1.4842	4.2727	4.2727	4.3360	4.3360	1.0970	1.0970	1.0918
C2	3.6289		1.5420	2.3829	1.4409	2.2421	1.0962	1.0962	2.2100	2.2100	3.9911	3.9911	4.3564
C3	3.6558	1.5420		1.4625	2.3489	2.1972	2.2222	2.2222	1.0979	1.0979	4.2245	4.2245	4.0134
N4	2.4643	2.3829	1.4625		2.2635	1.2722	3.1410	3.1410	2.1041	2.1041	3.1692	3.1692	2.6061
O5	2.4029	1.4409	2.3489	2.2635		1.3630	2.0630	2.0630	3.1146	3.1146	2.6882	2.6882	3.3177
C6	1.4842	2.2421	2.1972	1.2722	1.3630		2.9785	2.9785	2.9480	2.9480	2.1270	2.1270	2.1152
H7	4.2727	1.0962	2.2222	3.1410	2.0630	2.9785		1.7862	2.4046	2.9902	4.3869	4.7335	5.0353
H8	4.2727	1.0962	2.2222	3.1410	2.0630	2.9785	1.7862		2.9902	2.4046	4.7335	4.3869	5.0353
H9	4.3360	2.2100	1.0979	2.1041	3.1146	2.9480	2.4046	2.9902		1.7686	4.7451	5.0642	4.5991
H10	4.3360	2.2100	1.0979	2.1041	3.1146	2.9480	2.9902	2.4046	1.7686		5.0642	4.7451	4.5991
H11	1.0970	3.9911	4.2245	3.1692	2.6882	2.1270	4.3869	4.7335	4.7451	5.0642		1.7695	1.7913
H12	1.0970	3.9911	4.2245	3.1692	2.6882	2.1270	4.7335	4.3869	5.0642	4.7451	1.7695		1.7913
H13	1.0918	4.3564	4.0134	2.6061	3.3177	2.1152	5.0353	5.0353	4.5991	4.5991	1.7913	1.7913

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.591	C1	C6	O5	115.051
C2	C3	N4	104.925	C2	C3	H9	112.591
C2	C3	H10	112.591	C2	O5	C6	106.156
C3	C2	O5	103.845	C3	C2	H7	113.696
C3	C2	H8	113.696	C3	N4	C6	106.716
N4	C3	H9	109.703	N4	C3	H10	109.703
N4	C6	O5	118.358	O5	C2	H7	108.041
O5	C2	H8	108.041	C6	C1	H11	110.079
C6	C1	H12	110.079	C6	C1	H13	109.446
H7	C2	H8	109.117	H9	C3	H10	107.306
H11	C1	H12	107.521	H11	C1	H13	109.847
H12	C1	H13	109.847

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

using model chemistry: mPW1PW91/aug-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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Number	Element	Mulliken
1	C	0.521
2	C	1.060
3	C	0.637
4	N	-0.460
5	O	-0.714
6	C	0.246
7	H	-0.287
8	H	-0.287
9	H	-0.284
10	H	-0.284
11	H	-0.027
12	H	-0.027
13	H	-0.093

	x	y	z	Total
	1.030	-0.829	0.000	1.322
CHELPG
AIM
ESP

	x	y	z
x	8.858	0.587	0.000
y	0.587	10.319	0.000
z	0.000	0.000	6.753

<r²>	148.230
(<r²>)^1/2	12.175

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

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

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