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	hartrees
Energy at 0K	-282.825277
Energy at 298.15K	-282.833614
Nuclear repulsion energy	231.145733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3389	3136	0.06
2	A	3214	2974	3.56
3	A	3209	2969	0.15
4	A	3187	2948	6.21
5	A	1647	1523	11.85
6	A	1612	1491	0.93
7	A	1601	1481	6.75
8	A	1584	1465	23.80
9	A	1503	1390	0.60
10	A	1382	1279	12.58
11	A	1349	1248	3.72
12	A	1272	1177	72.60
13	A	1077	997	3.79
14	A	1020	944	7.23
15	A	983	910	2.87
16	A	923	854	10.90
17	A	875	809	2.36
18	A	737	682	1.44
19	A	628	581	3.10
20	A	318	294	3.24
21	A	3354	3103	0.19
22	A	3318	3070	3.60
23	A	3292	3046	3.22
24	A	1610	1490	5.73
25	A	1277	1181	0.02
26	A	1192	1103	1.02
27	A	1111	1028	2.74
28	A	1081	1000	1.71
29	A	832	770	0.05
30	A	494	457	2.86
31	A	227	210	7.32
32	A	151	140	0.13
33	A	84	78	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.329	2.206	0.000
C2	0.565	-1.556	0.000
C3	-1.007	-1.351	0.000
N4	-1.248	0.192	0.000
O5	1.161	-0.159	0.000
C6	0.000	0.695	0.000
H7	0.936	-2.090	0.910
H8	0.936	-2.090	-0.910
H9	-1.486	-1.794	0.904
H10	-1.486	-1.794	-0.904
H11	0.921	2.477	0.900
H12	0.921	2.477	-0.900
H13	-0.617	2.782	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.7698	3.8000	2.5580	2.5076	1.5465	4.4336	4.4336	4.4848	4.4848	1.1107	1.1107	1.1075
C2	3.7698		1.5849	2.5183	1.5190	2.3210	1.1183	1.1183	2.2540	2.2540	4.1477	4.1477	4.4965
C3	3.8000	1.5849		1.5620	2.4742	2.2807	2.2686	2.2686	1.1150	1.1150	4.3798	4.3798	4.1519
N4	2.5580	2.5183	1.5620		2.4346	1.3456	3.2870	3.2870	2.1951	2.1951	3.2765	3.2765	2.6660
O5	2.5076	1.5190	2.4742	2.4346		1.4416	2.1466	2.1466	3.2402	3.2402	2.7960	2.7960	3.4373
C6	1.5465	2.3210	2.2807	1.3456	1.4416		3.0760	3.0760	3.0368	3.0368	2.1985	2.1985	2.1765
H7	4.4336	1.1183	2.2686	3.2870	2.1466	3.0760		1.8196	2.4398	3.0402	4.5675	4.9129	5.1943
H8	4.4336	1.1183	2.2686	3.2870	2.1466	3.0760	1.8196		3.0402	2.4398	4.9129	4.5675	5.1943
H9	4.4848	2.2540	1.1150	2.1951	3.2402	3.0368	2.4398	3.0402		1.8084	4.9027	5.2241	4.7450
H10	4.4848	2.2540	1.1150	2.1951	3.2402	3.0368	3.0402	2.4398	1.8084		5.2241	4.9027	4.7450
H11	1.1107	4.1477	4.3798	3.2765	2.7960	2.1985	4.5675	4.9129	4.9027	5.2241		1.7997	1.8079
H12	1.1107	4.1477	4.3798	3.2765	2.7960	2.1985	4.9129	4.5675	5.2241	4.9027	1.7997		1.8079
H13	1.1075	4.4965	4.1519	2.6660	3.4373	2.1765	5.1943	5.1943	4.7450	4.7450	1.8079	1.8079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	124.233	C1	C6	O5	114.068
C2	C3	N4	106.306	C2	C3	H9	112.020
C2	C3	H10	112.020	C2	O5	C6	103.220
C3	C2	O5	105.696	C3	C2	H7	112.987
C3	C2	H8	112.987	C3	N4	C6	103.080
N4	C3	H9	109.022	N4	C3	H10	109.022
N4	C6	O5	121.699	O5	C2	H7	108.007
O5	C2	H8	108.007	C6	C1	H11	110.586
C6	C1	H12	110.586	C6	C1	H13	109.065
H7	C2	H8	108.890	H9	C3	H10	108.371
H11	C1	H12	108.222	H11	C1	H13	109.177
H12	C1	H13	109.177

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

using model chemistry: BLYP/STO-3G

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	-0.222
2	C	-0.060
3	C	-0.087
4	N	-0.239
5	O	-0.141
6	C	0.138
7	H	0.083
8	H	0.083
9	H	0.084
10	H	0.084
11	H	0.090
12	H	0.090
13	H	0.098

	x	y	z
x	4.574	0.426	0.000
y	0.426	6.025	0.000
z	0.000	0.000	2.865

<r²>	157.308
(<r²>)^1/2	12.542

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

using model chemistry: BLYP/STO-3G

States and conformations

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