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	hartrees
Energy at 0K	-286.274954
Energy at 298.15K	-286.283620
Nuclear repulsion energy	239.251829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3117	3082	3.40
2	A	2999	2965	54.95
3	A	2997	2963	7.47
4	A	2982	2948	41.38
5	A	1686	1667	141.00
6	A	1478	1461	2.76
7	A	1453	1436	0.51
8	A	1432	1416	12.07
9	A	1370	1354	44.57
10	A	1328	1313	14.54
11	A	1290	1276	8.98
12	A	1210	1196	97.92
13	A	1049	1037	4.11
14	A	975	964	87.23
15	A	953	942	0.29
16	A	923	912	19.34
17	A	881	871	25.55
18	A	732	724	4.92
19	A	648	640	1.63
20	A	342	338	6.74
21	A	3063	3028	5.70
22	A	3051	3016	35.22
23	A	3013	2979	6.49
24	A	1431	1415	11.64
25	A	1205	1191	0.18
26	A	1173	1160	2.03
27	A	1082	1070	0.02
28	A	1022	1010	2.48
29	A	807	798	0.03
30	A	574	568	3.09
31	A	230	227	12.20
32	A	124	123	0.75
33	A	26	26	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.333	2.139	0.000
C2	0.548	-1.513	0.000
C3	-0.991	-1.295	0.000
N4	-1.178	0.168	0.000
O5	1.092	-0.159	0.000
C6	0.000	0.684	0.000
H7	0.926	-2.028	0.898
H8	0.926	-2.028	-0.898
H9	-1.481	-1.731	0.889
H10	-1.481	-1.731	-0.889
H11	0.934	2.396	0.888
H12	0.934	2.396	-0.888
H13	-0.593	2.727	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6585	3.6813	2.4842	2.4202	1.4927	4.3039	4.3039	4.3658	4.3658	1.1025	1.1025	1.0976
C2	3.6585		1.5548	2.4086	1.4594	2.2645	1.1022	1.1022	2.2257	2.2257	4.0269	4.0269	4.3911
C3	3.6813	1.5548		1.4746	2.3737	2.2141	2.2405	2.2405	1.1041	1.1041	4.2568	4.2568	4.0424
N4	2.4842	2.4086	1.4746		2.2934	1.2861	3.1704	3.1704	2.1180	2.1180	3.1958	3.1958	2.6257
O5	2.4202	1.4594	2.3737	2.2934		1.3800	2.0804	2.0804	3.1438	3.1438	2.7093	2.7093	3.3425
C6	1.4927	2.2645	2.2141	1.2861	1.3800		3.0034	3.0034	2.9693	2.9693	2.1425	2.1425	2.1275
H7	4.3039	1.1022	2.2405	3.1704	2.0804	3.0034		1.7965	2.4251	3.0123	4.4237	4.7708	5.0722
H8	4.3039	1.1022	2.2405	3.1704	2.0804	3.0034	1.7965		3.0123	2.4251	4.7708	4.4237	5.0722
H9	4.3658	2.2257	1.1041	2.1180	3.1438	2.9693	2.4251	3.0123		1.7774	4.7813	5.1009	4.6319
H10	4.3658	2.2257	1.1041	2.1180	3.1438	2.9693	3.0123	2.4251	1.7774		5.1009	4.7813	4.6319
H11	1.1025	4.0269	4.2568	3.1958	2.7093	2.1425	4.4237	4.7708	4.7813	5.1009		1.7767	1.7976
H12	1.1025	4.0269	4.2568	3.1958	2.7093	2.1425	4.7708	4.4237	5.1009	4.7813	1.7767		1.7976
H13	1.0976	4.3911	4.0424	2.6257	3.3425	2.1275	5.0722	5.0722	4.6319	4.6319	1.7976	1.7976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.601	C1	C6	O5	114.756
C2	C3	N4	105.294	C2	C3	H9	112.561
C2	C3	H10	112.561	C2	O5	C6	105.755
C3	C2	O5	103.863	C3	C2	H7	113.886
C3	C2	H8	113.886	C3	N4	C6	106.444
N4	C3	H9	109.601	N4	C3	H10	109.601
N4	C6	O5	118.643	O5	C2	H7	107.793
O5	C2	H8	107.793	C6	C1	H11	110.390
C6	C1	H12	110.390	C6	C1	H13	109.492
H7	C2	H8	109.158	H9	C3	H10	107.201
H11	C1	H12	107.365	H11	C1	H13	109.587
H12	C1	H13	109.587

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

using model chemistry: PBEPBE/6-31+G**

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	-0.840
2	C	-0.113
3	C	-0.258
4	N	-0.240
5	O	-0.263
6	C	0.444
7	H	0.167
8	H	0.167
9	H	0.172
10	H	0.172
11	H	0.194
12	H	0.194
13	H	0.203

	x	y	z	Total
	0.989	-0.947	0.000	1.369
CHELPG
AIM
ESP

	x	y	z
x	8.985	0.571	0.000
y	0.571	10.250	0.000
z	0.000	0.000	6.638

<r²>	150.646
(<r²>)^1/2	12.274

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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