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	hartrees
Energy at 0K	-286.497956
Energy at 298.15K	-286.506782
Nuclear repulsion energy	241.714039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3201	3062	3.78
2	A	3149	3012	5.91
3	A	3141	3005	34.92
4	A	3105	2970	8.65
5	A	3087	2953	49.70
6	A	3078	2945	9.75
7	A	3070	2936	40.05
8	A	1773	1696	167.06
9	A	1530	1463	3.44
10	A	1502	1437	0.24
11	A	1476	1412	10.02
12	A	1475	1411	10.94
13	A	1423	1361	65.34
14	A	1380	1320	11.48
15	A	1340	1282	10.35
16	A	1262	1207	105.10
17	A	1247	1192	0.79
18	A	1218	1166	2.82
19	A	1119	1071	0.04
20	A	1094	1047	4.03
21	A	1056	1010	3.19
22	A	1047	1002	93.95
23	A	995	952	1.03
24	A	958	917	16.82
25	A	924	883	23.39
26	A	835	799	0.38
27	A	755	723	5.27
28	A	666	637	2.22
29	A	597	571	4.44
30	A	347	332	6.74
31	A	240	229	12.18
32	A	135	129	0.83
33	A	25	24	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-2.149	0.007	0.002
C2	1.391	-0.774	0.014
C3	1.424	0.767	-0.010
N4	0.020	1.175	0.009
O5	-0.013	-1.087	-0.015
C6	-0.668	0.107	0.000
H7	1.861	-1.239	-0.855
H8	1.816	-1.206	0.923
H9	1.909	1.163	-0.907
H10	1.945	1.189	0.854
H11	-2.490	-0.535	-0.883
H12	-2.487	-0.550	0.879
H13	-2.581	1.005	0.011

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6247	3.6522	2.4638	2.3994	1.4840	4.2849	4.2468	4.3159	4.3453	1.0926	1.0926	1.0878
C2	3.6247		1.5419	2.3833	1.4385	2.2397	1.0917	1.0924	2.2067	2.2061	3.9907	3.9801	4.3523
C3	3.6522	1.5419		1.4616	2.3454	2.1932	2.2207	2.2178	1.0940	1.0935	4.2160	4.2215	4.0118
N4	2.4638	2.3833	1.4616		2.2626	1.2708	3.1566	3.1196	2.0989	2.1021	3.1658	3.1660	2.6071
O5	2.3994	1.4385	2.3454	2.2626		1.3620	2.0589	2.0586	3.0905	3.1253	2.6825	2.6853	3.3123
C6	1.4840	2.2397	2.1932	1.2708	1.3620		2.9897	2.9573	2.9288	2.9541	2.1243	2.1248	2.1133
H7	4.2849	1.0917	2.2207	3.1566	2.0589	2.9897		1.7787	2.4036	2.9706	4.4075	4.7315	5.0513
H8	4.2468	1.0924	2.2178	3.1196	2.0586	2.9573	1.7787		2.9951	2.3999	4.7175	4.3533	5.0053
H9	4.3159	2.2067	1.0940	2.0989	3.0905	2.9288	2.4036	2.9951		1.7611	4.7153	5.0451	4.5858
H10	4.3453	2.2061	1.0935	2.1021	3.1253	2.9541	2.9706	2.3999	1.7611		5.0655	4.7616	4.6076
H11	1.0926	3.9907	4.2160	3.1658	2.6825	2.1243	4.4075	4.7175	4.7153	5.0655		1.7625	1.7828
H12	1.0926	3.9801	4.2215	3.1660	2.6853	2.1248	4.7315	4.3533	5.0451	4.7616	1.7625		1.7830
H13	1.0878	4.3523	4.0118	2.6071	3.3123	2.1133	5.0513	5.0053	4.5858	4.6076	1.7828	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.678	C1	C6	O5	114.865
C2	C3	N4	104.996	C2	C3	H9	112.568
C2	C3	H10	112.559	C2	O5	C6	106.180
C3	C2	O5	103.741	C3	C2	H7	113.867
C3	C2	H8	113.579	C3	N4	C6	106.566
N4	C3	H9	109.593	N4	C3	H10	109.879
N4	C6	O5	118.457	O5	C2	H7	108.136
O5	C2	H8	108.071	C6	C1	H11	110.142
C6	C1	H12	110.184	C6	C1	H13	109.548
H7	C2	H8	109.050	H9	C3	H10	107.232
H11	C1	H12	107.525	H11	C1	H13	109.696
H12	C1	H13	109.719

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

using model chemistry: B1B95/6-31+G**

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	-0.718
2	C	-0.052
3	C	-0.217
4	N	-0.274
5	O	-0.313
6	C	0.378
7	H	0.157
8	H	0.156
9	H	0.162
10	H	0.161
11	H	0.184
12	H	0.184
13	H	0.193

	x	y	z
x	9.729	0.399	-0.002
y	0.399	8.286	-0.006
z	-0.002	-0.006	6.345

<r²>	147.949
(<r²>)^1/2	12.163

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

using model chemistry: B1B95/6-31+G**

States and conformations

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