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	hartrees
Energy at 0K	-52.600453
Energy at 298.15K	-52.609316
Nuclear repulsion energy	127.854675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3145	3065	11.85
2	A	3047	2970	57.88
3	A	3028	2951	47.55
4	A	3017	2940	15.94
5	A	1671	1628	116.16
6	A	1533	1494	2.58
7	A	1517	1478	1.14
8	A	1502	1464	16.96
9	A	1438	1401	18.68
10	A	1358	1323	12.29
11	A	1334	1300	1.78
12	A	1225	1194	113.09
13	A	1076	1049	0.50
14	A	957	933	28.09
15	A	937	913	24.03
16	A	912	888	60.16
17	A	853	831	33.50
18	A	733	714	7.79
19	A	638	622	4.13
20	A	337	328	7.57
21	A	3116	3037	56.70
22	A	3092	3013	17.20
23	A	3075	2996	10.47
24	A	1497	1459	13.25
25	A	1239	1207	0.19
26	A	1190	1160	0.95
27	A	1122	1093	0.12
28	A	1080	1052	3.04
29	A	829	808	0.04
30	A	565	551	5.57
31	A	235	229	15.43
32	A	130	127	1.41
33	A	93	91	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.375	2.171	0.000
C2	0.501	-1.564	0.000
C3	-1.047	-1.298	0.000
N4	-1.194	0.204	0.000
O5	1.098	-0.190	0.000
C6	0.000	0.715	0.000
H7	0.861	-2.079	0.896
H8	0.861	-2.079	-0.896
H9	-1.544	-1.707	0.887
H10	-1.544	-1.707	-0.887
H11	0.979	2.408	0.885
H12	0.979	2.408	-0.885
H13	-0.532	2.779	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.7375	3.7490	2.5163	2.4692	1.5038	4.3704	4.3704	4.4167	4.4167	1.0967	1.0967	1.0917
C2	3.7375		1.5706	2.4491	1.4984	2.3336	1.0942	1.0942	2.2337	2.2337	4.0971	4.0971	4.4642
C3	3.7490	1.5706		1.5087	2.4140	2.2685	2.2475	2.2475	1.0961	1.0961	4.3144	4.3144	4.1090
N4	2.5163	2.4491	1.5087		2.3253	1.2984	3.1990	3.1990	2.1353	2.1353	3.2183	3.2183	2.6587
O5	2.4692	1.4984	2.4140	2.3253		1.4229	2.1041	2.1041	3.1729	3.1729	2.7467	2.7467	3.3866
C6	1.5038	2.3336	2.2685	1.2984	1.4229		3.0576	3.0576	3.0057	3.0057	2.1461	2.1461	2.1312
H7	4.3704	1.0942	2.2475	3.1990	2.1041	3.0576		1.7926	2.4331	3.0167	4.4879	4.8284	5.1320
H8	4.3704	1.0942	2.2475	3.1990	2.1041	3.0576	1.7926		3.0167	2.4331	4.8284	4.4879	5.1320
H9	4.4167	2.2337	1.0961	2.1353	3.1729	3.0057	2.4331	3.0167		1.7743	4.8259	5.1409	4.6830
H10	4.4167	2.2337	1.0961	2.1353	3.1729	3.0057	3.0167	2.4331	1.7743		5.1409	4.8259	4.6830
H11	1.0967	4.0971	4.3144	3.2183	2.7467	2.1461	4.4879	4.8284	4.8259	5.1409		1.7697	1.7891
H12	1.0967	4.0971	4.3144	3.2183	2.7467	2.1461	4.8284	4.4879	5.1409	4.8259	1.7697		1.7891
H13	1.0917	4.4642	4.1090	2.6587	3.3866	2.1312	5.1320	5.1320	4.6830	4.6830	1.7891	1.7891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	127.637	C1	C6	O5	115.033
C2	C3	N4	105.357	C2	C3	H9	112.563
C2	C3	H10	112.563	C2	O5	C6	106.011
C3	C2	O5	103.707	C3	C2	H7	113.800
C3	C2	H8	113.800	C3	N4	C6	107.594
N4	C3	H9	109.093	N4	C3	H10	109.093
N4	C6	O5	117.330	O5	C2	H7	107.482
O5	C2	H8	107.482	C6	C1	H11	110.250
C6	C1	H12	110.250	C6	C1	H13	109.370
H7	C2	H8	109.995	H9	C3	H10	108.072
H11	C1	H12	107.581	H11	C1	H13	109.684
H12	C1	H13	109.684

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

using model chemistry: B3LYP/CEP-121G

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	-0.586
2	C	-0.133
3	C	-0.330
4	N	0.076
5	O	-0.246
6	C	0.030
7	H	0.160
8	H	0.160
9	H	0.165
10	H	0.165
11	H	0.177
12	H	0.177
13	H	0.185

	x	y	z	Total
	0.646	-1.239	0.000	1.398
CHELPG
AIM
ESP

	x	y	z
x	8.113	0.760	0.000
y	0.760	9.646	0.000
z	0.000	0.000	6.070

<r²>	127.473
(<r²>)^1/2	11.290

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

using model chemistry: B3LYP/CEP-121G

States and conformations

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