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	hartrees
Energy at 0K	-284.920818
Energy at 298.15K	-284.930081
Nuclear repulsion energy	243.504386

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3297	2995	11.42
2	A	3217	2922	64.68
3	A	3191	2899	58.16
4	A	3186	2895	14.98
5	A	1927	1751	233.78
6	A	1662	1510	2.61
7	A	1634	1485	0.15
8	A	1595	1449	8.26
9	A	1552	1410	57.72
10	A	1510	1372	6.85
11	A	1470	1335	22.58
12	A	1365	1240	135.69
13	A	1192	1083	8.80
14	A	1140	1036	108.51
15	A	1080	981	0.85
16	A	1031	937	36.64
17	A	992	901	16.82
18	A	828	753	7.06
19	A	702	638	3.20
20	A	373	339	6.51
21	A	3262	2963	66.80
22	A	3244	2947	17.09
23	A	3217	2923	15.57
24	A	1593	1447	8.38
25	A	1355	1231	0.00
26	A	1327	1206	4.51
27	A	1223	1112	0.12
28	A	1161	1055	3.16
29	A	897	815	1.44
30	A	661	600	9.22
31	A	258	234	11.41
32	A	160	145	1.07
33	A	72	65	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.342	2.118	0.000
C2	0.541	-1.490	0.000
C3	-0.987	-1.278	0.000
N4	-1.145	0.172	0.000
O5	1.055	-0.164	0.000
C6	0.000	0.668	0.000
H7	0.907	-2.000	0.881
H8	0.907	-2.000	-0.881
H9	-1.465	-1.704	0.875
H10	-1.465	-1.704	-0.875
H11	0.936	2.352	0.877
H12	0.936	2.352	-0.877
H13	-0.564	2.706	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6128	3.6457	2.4486	2.3906	1.4892	4.2489	4.2489	4.3166	4.3166	1.0849	1.0849	1.0799
C2	3.6128		1.5423	2.3668	1.4220	2.2245	1.0822	1.0822	2.1987	2.1987	3.9602	3.9602	4.3386
C3	3.6457	1.5423		1.4578	2.3259	2.1814	2.2099	2.2099	1.0844	1.0844	4.1999	4.1999	4.0057
N4	2.4486	2.3668	1.4578		2.2254	1.2476	3.1148	3.1148	2.0943	2.0943	3.1388	3.1388	2.5999
O5	2.3906	1.4220	2.3259	2.2254		1.3439	2.0423	2.0423	3.0803	3.0803	2.6669	2.6669	3.2952
C6	1.4892	2.2245	2.1814	1.2476	1.3439		2.9528	2.9528	2.9219	2.9219	2.1167	2.1167	2.1144
H7	4.2489	1.0822	2.2099	3.1148	2.0423	2.9528		1.7625	2.3898	2.9657	4.3524	4.6940	5.0087
H8	4.2489	1.0822	2.2099	3.1148	2.0423	2.9528	1.7625		2.9657	2.3898	4.6940	4.3524	5.0087
H9	4.3166	2.1987	1.0844	2.0943	3.0803	2.9219	2.3898	2.9657		1.7498	4.7134	5.0283	4.5852
H10	4.3166	2.1987	1.0844	2.0943	3.0803	2.9219	2.9657	2.3898	1.7498		5.0283	4.7134	4.5852
H11	1.0849	3.9602	4.1999	3.1388	2.6669	2.1167	4.3524	4.6940	4.7134	5.0283		1.7532	1.7732
H12	1.0849	3.9602	4.1999	3.1388	2.6669	2.1167	4.6940	4.3524	5.0283	4.7134	1.7532		1.7732
H13	1.0799	4.3386	4.0057	2.5999	3.2952	2.1144	5.0087	5.0087	4.5852	4.5852	1.7732	1.7732

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.706	C1	C6	O5	114.990
C2	C3	N4	104.130	C2	C3	H9	112.494
C2	C3	H10	112.494	C2	O5	C6	107.048
C3	C2	O5	103.297	C3	C2	H7	113.552
C3	C2	H8	113.552	C3	N4	C6	107.221
N4	C3	H9	110.074	N4	C3	H10	110.074
N4	C6	O5	118.304	O5	C2	H7	108.524
O5	C2	H8	108.524	C6	C1	H11	109.636
C6	C1	H12	109.636	C6	C1	H13	109.745
H7	C2	H8	109.049	H9	C3	H10	107.567
H11	C1	H12	107.810	H11	C1	H13	109.993
H12	C1	H13	109.993

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

using model chemistry: HF/6-311G**

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	-0.195
2	C	0.056
3	C	-0.079
4	N	-0.447
5	O	-0.453
6	C	0.349
7	H	0.101
8	H	0.101
9	H	0.105
10	H	0.105
11	H	0.115
12	H	0.115
13	H	0.127

	x	y	z	Total
	1.021	-0.977	0.000	1.413
CHELPG
AIM
ESP

	x	y	z
x	7.244	0.735	0.000
y	0.735	8.452	0.000
z	0.000	0.000	5.609

<r²>	146.508
(<r²>)^1/2	12.104

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

using model chemistry: HF/6-311G**

States and conformations

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