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	hartrees
Energy at 0K	-286.501086
Energy at 298.15K	-286.509814
Nuclear repulsion energy	237.958406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3084	3089	5.91
2	A	2967	2972	15.45
3	A	2962	2967	54.90
4	A	2946	2950	50.66
5	A	1666	1669	113.13
6	A	1453	1456	1.30
7	A	1429	1431	0.41
8	A	1408	1411	7.93
9	A	1357	1359	26.34
10	A	1316	1318	17.23
11	A	1278	1280	13.56
12	A	1192	1194	80.41
13	A	1031	1033	1.29
14	A	937	938	80.35
15	A	933	935	1.33
16	A	905	906	28.17
17	A	863	865	22.13
18	A	730	731	5.07
19	A	640	641	1.76
20	A	335	335	4.74
21	A	3021	3026	10.78
22	A	3007	3012	51.20
23	A	2970	2975	9.00
24	A	1406	1408	7.26
25	A	1195	1197	0.14
26	A	1157	1159	1.42
27	A	1074	1076	0.00
28	A	1018	1019	2.46
29	A	796	797	0.05
30	A	569	570	3.17
31	A	227	227	8.42
32	A	137	137	1.20
33	A	70	70	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.338	2.149	0.000
C2	0.547	-1.523	0.000
C3	-1.000	-1.300	0.000
N4	-1.182	0.175	0.000
O5	1.100	-0.162	0.000
C6	0.000	0.686	0.000
H7	0.925	-2.045	0.902
H8	0.925	-2.045	-0.902
H9	-1.494	-1.738	0.893
H10	-1.494	-1.738	-0.893
H11	0.947	2.404	0.892
H12	0.947	2.404	-0.892
H13	-0.590	2.746	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6777	3.6992	2.4917	2.4329	1.5015	4.3296	4.3296	4.3886	4.3886	1.1093	1.1093	1.1034
C2	3.6777		1.5625	2.4236	1.4689	2.2756	1.1088	1.1088	2.2378	2.2378	4.0466	4.0466	4.4174
C3	3.6992	1.5625		1.4863	2.3877	2.2233	2.2526	2.2526	1.1106	1.1106	4.2780	4.2780	4.0663
N4	2.4917	2.4236	1.4863		2.3067	1.2881	3.1913	3.1913	2.1338	2.1338	3.2088	3.2088	2.6381
O5	2.4329	1.4689	2.3877	2.3067		1.3885	2.0951	2.0951	3.1631	3.1631	2.7206	2.7206	3.3627
C6	1.5015	2.2756	2.2233	1.2881	1.3885		3.0211	3.0211	2.9838	2.9838	2.1547	2.1547	2.1425
H7	4.3296	1.1088	2.2526	3.1913	2.0951	3.0211		1.8045	2.4384	3.0280	4.4486	4.7968	5.1047
H8	4.3296	1.1088	2.2526	3.1913	2.0951	3.0211	1.8045		3.0280	2.4384	4.7968	4.4486	5.1047
H9	4.3886	2.2378	1.1106	2.1338	3.1631	2.9838	2.4384	3.0280		1.7861	4.8071	5.1278	4.6601
H10	4.3886	2.2378	1.1106	2.1338	3.1631	2.9838	3.0280	2.4384	1.7861		5.1278	4.8071	4.6601
H11	1.1093	4.0466	4.2780	3.2088	2.7206	2.1547	4.4486	4.7968	4.8071	5.1278		1.7836	1.8091
H12	1.1093	4.0466	4.2780	3.2088	2.7206	2.1547	4.7968	4.4486	5.1278	4.8071	1.7836		1.8091
H13	1.1034	4.4174	4.0663	2.6381	3.3627	2.1425	5.1047	5.1047	4.6601	4.6601	1.8091	1.8091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.390	C1	C6	O5	114.616
C2	C3	N4	105.273	C2	C3	H9	112.587
C2	C3	H10	112.587	C2	O5	C6	105.540
C3	C2	O5	103.893	C3	C2	H7	113.887
C3	C2	H8	113.887	C3	N4	C6	106.300
N4	C3	H9	109.665	N4	C3	H10	109.665
N4	C6	O5	118.994	O5	C2	H7	107.918
O5	C2	H8	107.918	C6	C1	H11	110.336
C6	C1	H12	110.336	C6	C1	H13	109.723
H7	C2	H8	108.913	H9	C3	H10	107.051
H11	C1	H12	107.018	H11	C1	H13	109.694
H12	C1	H13	109.694

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

using model chemistry: BLYP/cc-pVDZ

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	0.081
2	C	0.134
3	C	0.065
4	N	-0.217
5	O	-0.252
6	C	0.046
7	H	0.014
8	H	0.014
9	H	0.010
10	H	0.010
11	H	0.033
12	H	0.033
13	H	0.029

	x	y	z	Total
	0.884	-0.764	0.000	1.168
CHELPG
AIM
ESP

	x	y	z
x	7.800	0.717	0.000
y	0.717	9.860	0.000
z	0.000	0.000	5.931

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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