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	hartrees
Energy at 0K	-286.404815
Energy at 298.15K	-286.413530
Nuclear repulsion energy	235.226312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3103	3079	8.04
2	A	3016	2993	40.36
3	A	2996	2974	40.02
4	A	2988	2965	12.41
5	A	1638	1626	92.51
6	A	1516	1505	0.65
7	A	1502	1490	0.39
8	A	1484	1473	14.90
9	A	1417	1407	11.27
10	A	1324	1314	12.80
11	A	1301	1291	1.65
12	A	1196	1187	91.61
13	A	1047	1040	1.11
14	A	908	901	1.41
15	A	882	875	1.74
16	A	850	844	80.56
17	A	824	818	39.80
18	A	713	708	7.13
19	A	631	626	2.58
20	A	334	331	6.91
21	A	3072	3049	44.84
22	A	3043	3020	12.30
23	A	3031	3008	9.38
24	A	1484	1473	10.54
25	A	1227	1217	0.13
26	A	1157	1148	0.34
27	A	1094	1086	0.58
28	A	1064	1056	3.93
29	A	822	816	0.00
30	A	555	551	5.32
31	A	228	227	13.42
32	A	125	124	1.49
33	A	102	101	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.347	2.170	0.000
C2	0.535	-1.563	0.000
C3	-1.014	-1.317	0.000
N4	-1.188	0.188	0.000
O5	1.123	-0.167	0.000
C6	0.000	0.713	0.000
H7	0.906	-2.072	0.901
H8	0.906	-2.072	-0.901
H9	-1.508	-1.735	0.892
H10	-1.508	-1.735	-0.892
H11	0.949	2.424	0.888
H12	0.949	2.424	-0.888
H13	-0.574	2.767	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.7370	3.7426	2.5063	2.4626	1.4973	4.3726	4.3726	4.4137	4.4137	1.1031	1.1031	1.0977
C2	3.7370		1.5680	2.4560	1.5143	2.3377	1.0995	1.0995	2.2356	2.2356	4.1054	4.1054	4.4693
C3	3.7426	1.5680		1.5149	2.4265	2.2690	2.2513	2.2513	1.1017	1.1017	4.3170	4.3170	4.1073
N4	2.5063	2.4560	1.5149		2.3380	1.2985	3.2102	3.2102	2.1436	2.1436	3.2180	3.2180	2.6508
O5	2.4626	1.5143	2.4265	2.3380		1.4271	2.1184	2.1184	3.1899	3.1899	2.7449	2.7449	3.3898
C6	1.4973	2.3377	2.2690	1.2985	1.4271		3.0646	3.0646	3.0102	3.0102	2.1489	2.1489	2.1326
H7	4.3726	1.0995	2.2513	3.2102	2.1184	3.0646		1.8011	2.4378	3.0256	4.4967	4.8395	5.1403
H8	4.3726	1.0995	2.2513	3.2102	2.1184	3.0646	1.8011		3.0256	2.4378	4.8395	4.4967	5.1403
H9	4.4137	2.2356	1.1017	2.1436	3.1899	3.0102	2.4378	3.0256		1.7830	4.8306	5.1481	4.6832
H10	4.4137	2.2356	1.1017	2.1436	3.1899	3.0102	3.0256	2.4378	1.7830		5.1481	4.8306	4.6832
H11	1.1031	4.1054	4.3170	3.2180	2.7449	2.1489	4.4967	4.8395	4.8306	5.1481		1.7768	1.7967
H12	1.1031	4.1054	4.3170	3.2180	2.7449	2.1489	4.8395	4.4967	5.1481	4.8306	1.7768		1.7967
H13	1.0977	4.4693	4.1073	2.6508	3.3898	2.1326	5.1403	5.1403	4.6832	4.6832	1.7967	1.7967

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	127.244	C1	C6	O5	114.694
C2	C3	N4	105.609	C2	C3	H9	112.560
C2	C3	H10	112.560	C2	O5	C6	105.226
C3	C2	O5	103.845	C3	C2	H7	113.969
C3	C2	H8	113.969	C3	N4	C6	107.258
N4	C3	H9	108.989	N4	C3	H10	108.989
N4	C6	O5	118.062	O5	C2	H7	107.224
O5	C2	H8	107.224	C6	C1	H11	110.536
C6	C1	H12	110.536	C6	C1	H13	109.563
H7	C2	H8	109.982	H9	C3	H10	108.031
H11	C1	H12	107.284	H11	C1	H13	109.442
H12	C1	H13	109.442

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

using model chemistry: BLYP/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
1	C	-0.401
2	C	-0.042
3	C	-0.177
4	N	-0.320
5	O	-0.452
6	C	0.341
7	H	0.145
8	H	0.145
9	H	0.145
10	H	0.145
11	H	0.156
12	H	0.156
13	H	0.159

	x	y	z	Total
	0.656	-1.091	0.000	1.273
CHELPG
AIM
ESP

<r²>	154.589
(<r²>)^1/2	12.433

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

using model chemistry: BLYP/6-31G

States and conformations

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