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	hartrees
Energy at 0K	-284.910997
Energy at 298.15K	-284.919699
Nuclear repulsion energy	234.876433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3099	3082	5.65
2	A	3011	2995	37.22
3	A	3001	2985	34.92
4	A	2993	2977	8.79
5	A	1618	1609	69.27
6	A	1531	1522	0.13
7	A	1512	1503	2.45
8	A	1499	1491	16.86
9	A	1415	1408	12.96
10	A	1310	1303	11.91
11	A	1280	1273	2.95
12	A	1177	1171	85.42
13	A	1040	1034	3.84
14	A	885	880	27.83
15	A	876	872	3.15
16	A	836	832	39.61
17	A	815	810	39.45
18	A	710	706	7.86
19	A	624	620	2.24
20	A	316	314	4.83
21	A	3064	3048	45.45
22	A	3038	3021	8.96
23	A	3035	3019	1.72
24	A	1509	1501	9.74
25	A	1239	1232	0.11
26	A	1157	1151	0.06
27	A	1082	1076	3.17
28	A	1058	1052	1.22
29	A	807	803	0.00
30	A	547	544	3.32
31	A	224	223	12.07
32	A	129	129	1.49
33	A	118	117	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.369	2.166	0.000
C2	0.527	-1.566	0.000
C3	-1.030	-1.314	0.000
N4	-1.192	0.206	0.000
O5	1.127	-0.171	0.000
C6	0.000	0.707	0.000
H7	0.881	-2.081	0.904
H8	0.881	-2.081	-0.904
H9	-1.519	-1.722	0.897
H10	-1.519	-1.722	-0.897
H11	0.975	2.401	0.890
H12	0.975	2.401	-0.890
H13	-0.546	2.770	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.7351	3.7509	2.5056	2.4571	1.5051	4.3726	4.3726	4.4146	4.4146	1.1024	1.1024	1.0969
C2	3.7351		1.5775	2.4686	1.5176	2.3331	1.0989	1.0989	2.2394	2.2394	4.0896	4.0896	4.4667
C3	3.7509	1.5775		1.5287	2.4406	2.2684	2.2487	2.2487	1.1000	1.1000	4.3143	4.3143	4.1127
N4	2.5056	2.4686	1.5287		2.3487	1.2926	3.2163	3.2163	2.1518	2.1518	3.2101	3.2101	2.6440
O5	2.4571	1.5176	2.4406	2.3487		1.4285	2.1272	2.1272	3.1948	3.1948	2.7259	2.7259	3.3839
C6	1.5051	2.3331	2.2684	1.2926	1.4285		3.0607	3.0607	3.0021	3.0021	2.1477	2.1477	2.1342
H7	4.3726	1.0989	2.2487	3.2163	2.1272	3.0607		1.8073	2.4262	3.0213	4.4830	4.8286	5.1372
H8	4.3726	1.0989	2.2487	3.2163	2.1272	3.0607	1.8073		3.0213	2.4262	4.8286	4.4830	5.1372
H9	4.4146	2.2394	1.1000	2.1518	3.1948	3.0021	2.4262	3.0213		1.7939	4.8186	5.1394	4.6832
H10	4.4146	2.2394	1.1000	2.1518	3.1948	3.0021	3.0213	2.4262	1.7939		5.1394	4.8186	4.6832
H11	1.1024	4.0896	4.3143	3.2101	2.7259	2.1477	4.4830	4.8286	4.8186	5.1394		1.7808	1.8014
H12	1.1024	4.0896	4.3143	3.2101	2.7259	2.1477	4.8286	4.4830	5.1394	4.8186	1.7808		1.8014
H13	1.0969	4.4667	4.1127	2.6440	3.3839	2.1342	5.1372	5.1372	4.6832	4.6832	1.8014	1.8014

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	127.003	C1	C6	O5	113.740
C2	C3	N4	105.249	C2	C3	H9	112.291
C2	C3	H10	112.291	C2	O5	C6	104.687
C3	C2	O5	104.077	C3	C2	H7	113.105
C3	C2	H8	113.105	C3	N4	C6	106.730
N4	C3	H9	108.793	N4	C3	H10	108.793
N4	C6	O5	119.257	O5	C2	H7	107.708
O5	C2	H8	107.708	C6	C1	H11	109.947
C6	C1	H12	109.947	C6	C1	H13	109.210
H7	C2	H8	110.642	H9	C3	H10	109.256
H11	C1	H12	107.745	H11	C1	H13	109.989
H12	C1	H13	109.989

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

using model chemistry: BLYP/3-21G

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	-0.574
2	C	-0.182
3	C	-0.286
4	N	-0.443
5	O	-0.427
6	C	0.474
7	H	0.198
8	H	0.198
9	H	0.203
10	H	0.203
11	H	0.211
12	H	0.211
13	H	0.214

	x	y	z	Total
	0.679	-1.039	0.000	1.242
CHELPG
AIM
ESP

<r²>	154.628
(<r²>)^1/2	12.435

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

using model chemistry: BLYP/3-21G

States and conformations

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