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	hartrees
Energy at 0K	-284.708501
Energy at 298.15K	-284.717814
Nuclear repulsion energy	240.728033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3331	3008	7.35
2	A	3273	2956	36.52
3	A	3245	2930	37.82
4	A	3215	2902	11.68
5	A	1909	1724	177.02
6	A	1685	1521	1.40
7	A	1667	1505	0.21
8	A	1632	1474	12.02
9	A	1587	1433	16.02
10	A	1511	1364	14.40
11	A	1470	1328	1.56
12	A	1368	1236	138.93
13	A	1197	1081	1.22
14	A	1070	966	99.06
15	A	1048	946	1.75
16	A	1005	907	38.74
17	A	963	869	20.29
18	A	823	744	12.93
19	A	700	632	5.30
20	A	366	331	9.18
21	A	3334	3010	38.85
22	A	3286	2967	10.77
23	A	3279	2960	11.33
24	A	1632	1474	11.04
25	A	1376	1243	0.14
26	A	1317	1189	2.36
27	A	1234	1114	0.36
28	A	1197	1081	6.48
29	A	915	827	1.35
30	A	646	584	15.93
31	A	263	237	17.28
32	A	159	144	1.78
33	A	126	114	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.344	2.140	0.000
C2	0.535	-1.528	0.000
C3	-0.997	-1.296	0.000
N4	-1.146	0.176	0.000
O5	1.071	-0.170	0.000
C6	0.000	0.702	0.000
H7	0.899	-2.028	0.882
H8	0.899	-2.028	-0.882
H9	-1.479	-1.707	0.874
H10	-1.479	-1.707	-0.874
H11	0.937	2.380	0.874
H12	0.937	2.380	-0.874
H13	-0.557	2.733	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6730	3.6889	2.4659	2.4226	1.4794	4.2965	4.2965	4.3464	4.3464	1.0829	1.0829	1.0782
C2	3.6730		1.5493	2.3937	1.4592	2.2926	1.0772	1.0772	2.2036	2.2036	4.0243	4.0243	4.3980
C3	3.6889	1.5493		1.4797	2.3544	2.2326	2.2150	2.2150	1.0800	1.0800	4.2448	4.2448	4.0528
N4	2.4659	2.3937	1.4797		2.2444	1.2611	3.1332	3.1332	2.1024	2.1024	3.1564	3.1564	2.6238
O5	2.4226	1.4592	2.3544	2.2444		1.3813	2.0634	2.0634	3.1034	3.1034	2.6994	2.6994	3.3285
C6	1.4794	2.2926	2.2326	1.2611	1.3813		3.0060	3.0060	2.9587	2.9587	2.1116	2.1116	2.1060
H7	4.2965	1.0772	2.2150	3.1332	2.0634	3.0060		1.7641	2.3998	2.9740	4.4081	4.7449	5.0556
H8	4.2965	1.0772	2.2150	3.1332	2.0634	3.0060	1.7641		2.9740	2.3998	4.7449	4.4081	5.0556
H9	4.3464	2.2036	1.0800	2.1024	3.1034	2.9587	2.3998	2.9740		1.7490	4.7479	5.0596	4.6178
H10	4.3464	2.2036	1.0800	2.1024	3.1034	2.9587	2.9740	2.3998	1.7490		5.0596	4.7479	4.6178
H11	1.0829	4.0243	4.2448	3.1564	2.6994	2.1116	4.4081	4.7449	4.7479	5.0596		1.7474	1.7664
H12	1.0829	4.0243	4.2448	3.1564	2.6994	2.1116	4.7449	4.4081	5.0596	4.7479	1.7474		1.7664
H13	1.0782	4.3980	4.0528	2.6238	3.3285	2.1060	5.0556	5.0556	4.6178	4.6178	1.7664	1.7664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	128.086	C1	C6	O5	115.700
C2	C3	N4	104.395	C2	C3	H9	112.658
C2	C3	H10	112.658	C2	O5	C6	107.599
C3	C2	O5	102.960	C3	C2	H7	113.770
C3	C2	H8	113.770	C3	N4	C6	108.832
N4	C3	H9	109.451	N4	C3	H10	109.451
N4	C6	O5	116.214	O5	C2	H7	107.934
O5	C2	H8	107.934	C6	C1	H11	110.039
C6	C1	H12	110.039	C6	C1	H13	109.867
H7	C2	H8	109.934	H9	C3	H10	108.137
H11	C1	H12	107.571	H11	C1	H13	109.645
H12	C1	H13	109.645

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

using model chemistry: HF/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	CHELPG
1	C	-0.480	-0.638
2	C	-0.011	0.084
3	C	-0.207	0.511
4	N	-0.508	-0.886
5	O	-0.712	-0.613
6	C	0.562	1.016
7	H	0.189	0.054
8	H	0.189	0.054
9	H	0.193	-0.047
10	H	0.193	-0.047
11	H	0.194	0.171
12	H	0.194	0.171
13	H	0.203	0.167

	x	y	z	Total
	0.680	-1.310	0.000	1.476
CHELPG	0.662	-1.361	0.000	1.514
AIM
ESP

	x	y	z
x	7.005	0.805	0.000
y	0.805	8.105	0.000
z	0.000	0.000	5.149

<r²>	149.613
(<r²>)^1/2	12.232

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

using model chemistry: HF/6-31G

States and conformations

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