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	hartrees
Energy at 0K	-286.253416
Energy at 298.15K	-286.262188
Nuclear repulsion energy	239.441068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3122	3070	4.36
2	A	3002	2952	13.99
3	A	3000	2950	45.37
4	A	2983	2934	45.32
5	A	1699	1671	118.76
6	A	1504	1479	1.11
7	A	1479	1454	0.32
8	A	1459	1435	10.34
9	A	1389	1366	37.37
10	A	1344	1322	16.10
11	A	1304	1283	13.29
12	A	1222	1202	90.69
13	A	1059	1041	2.65
14	A	986	970	85.55
15	A	958	942	2.27
16	A	929	913	18.10
17	A	888	874	18.30
18	A	736	724	4.71
19	A	651	640	2.19
20	A	339	333	5.53
21	A	3063	3013	7.47
22	A	3048	2997	45.26
23	A	3012	2963	7.54
24	A	1456	1432	9.71
25	A	1218	1198	0.08
26	A	1185	1165	0.86
27	A	1093	1075	0.04
28	A	1037	1019	3.88
29	A	814	800	0.04
30	A	572	563	4.12
31	A	231	227	9.84
32	A	139	136	1.18
33	A	71	70	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.335	2.136	0.000
C2	0.548	-1.509	0.000
C3	-0.992	-1.291	0.000
N4	-1.180	0.170	0.000
O5	1.093	-0.160	0.000
C6	0.000	0.679	0.000
H7	0.924	-2.029	0.897
H8	0.924	-2.029	-0.897
H9	-1.481	-1.730	0.889
H10	-1.481	-1.730	-0.889
H11	0.936	2.393	0.888
H12	0.936	2.393	-0.888
H13	-0.592	2.725	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6505	3.6747	2.4815	2.4173	1.4943	4.3007	4.3007	4.3624	4.3624	1.1034	1.1034	1.0982
C2	3.6505		1.5554	2.4088	1.4548	2.2556	1.1032	1.1032	2.2261	2.2261	4.0204	4.0204	4.3846
C3	3.6747	1.5554		1.4730	2.3721	2.2061	2.2410	2.2410	1.1051	1.1051	4.2523	4.2523	4.0362
N4	2.4815	2.4088	1.4730		2.2963	1.2849	3.1727	3.1727	2.1191	2.1191	3.1953	3.1953	2.6221
O5	2.4173	1.4548	2.3721	2.2963		1.3778	2.0802	2.0802	3.1433	3.1433	2.7075	2.7075	3.3408
C6	1.4943	2.2556	2.2061	1.2849	1.3778		2.9990	2.9990	2.9645	2.9645	2.1455	2.1455	2.1297
H7	4.3007	1.1032	2.2410	3.1727	2.0802	2.9990		1.7944	2.4237	3.0105	4.4220	4.7689	5.0700
H8	4.3007	1.1032	2.2410	3.1727	2.0802	2.9990	1.7944		3.0105	2.4237	4.7689	4.4220	5.0700
H9	4.3624	2.2261	1.1051	2.1191	3.1433	2.9645	2.4237	3.0105		1.7772	4.7796	5.0993	4.6293
H10	4.3624	2.2261	1.1051	2.1191	3.1433	2.9645	3.0105	2.4237	1.7772		5.0993	4.7796	4.6293
H11	1.1034	4.0204	4.2523	3.1953	2.7075	2.1455	4.4220	4.7689	4.7796	5.0993		1.7767	1.7986
H12	1.1034	4.0204	4.2523	3.1953	2.7075	2.1455	4.7689	4.4220	5.0993	4.7796	1.7767		1.7986
H13	1.0982	4.3846	4.0362	2.6221	3.3408	2.1297	5.0700	5.0700	4.6293	4.6293	1.7986	1.7986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.305	C1	C6	O5	114.569
C2	C3	N4	105.355	C2	C3	H9	112.482
C2	C3	H10	112.482	C2	O5	C6	105.522
C3	C2	O5	103.953	C3	C2	H7	113.808
C3	C2	H8	113.808	C3	N4	C6	106.043
N4	C3	H9	109.740	N4	C3	H10	109.740
N4	C6	O5	119.126	O5	C2	H7	108.029
O5	C2	H8	108.029	C6	C1	H11	110.460
C6	C1	H12	110.460	C6	C1	H13	109.522
H7	C2	H8	108.823	H9	C3	H10	107.039
H11	C1	H12	107.243	H11	C1	H13	109.561
H12	C1	H13	109.561

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

using model chemistry: PBEPBEultrafine/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	-0.560
2	C	-0.105
3	C	-0.225
4	N	-0.412
5	O	-0.430
6	C	0.483
7	H	0.167
8	H	0.167
9	H	0.169
10	H	0.169
11	H	0.189
12	H	0.189
13	H	0.199

	x	y	z	Total
	0.971	-0.840	0.000	1.284
CHELPG
AIM
ESP

	x	y	z
x	7.545	0.674	0.000
y	0.674	9.249	0.000
z	0.000	0.000	5.638

<r²>	149.778
(<r²>)^1/2	12.238

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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