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	hartrees
Energy at 0K	-286.497265
Energy at 298.15K	-286.506149
Nuclear repulsion energy	241.747183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3207	3082	2.93
2	A	3076	2956	10.80
3	A	3070	2951	49.70
4	A	3054	2936	44.23
5	A	1782	1713	146.40
6	A	1500	1442	5.65
7	A	1470	1413	0.11
8	A	1445	1389	9.11
9	A	1411	1357	78.12
10	A	1365	1312	4.06
11	A	1325	1273	12.35
12	A	1256	1208	76.22
13	A	1092	1050	6.19
14	A	1054	1014	91.76
15	A	1000	961	0.96
16	A	960	922	15.42
17	A	925	889	21.66
18	A	761	731	5.54
19	A	672	646	2.73
20	A	344	330	5.24
21	A	3151	3029	5.68
22	A	3122	3001	41.69
23	A	3089	2969	6.16
24	A	1440	1384	8.99
25	A	1235	1187	0.03
26	A	1207	1160	1.91
27	A	1106	1063	0.00
28	A	1044	1003	3.73
29	A	822	790	0.08
30	A	595	572	3.85
31	A	237	227	9.65
32	A	144	138	1.19
33	A	48	46	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.332	2.119	0.000
C2	0.544	-1.491	0.000
C3	-0.981	-1.281	0.000
N4	-1.166	0.167	0.000
O5	1.076	-0.159	0.000
C6	0.000	0.673	0.000
H7	0.918	-2.012	0.892
H8	0.918	-2.012	-0.892
H9	-1.468	-1.720	0.884
H10	-1.468	-1.720	-0.884
H11	0.934	2.368	0.885
H12	0.934	2.368	-0.885
H13	-0.589	2.708	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6166	3.6449	2.4602	2.3965	1.4832	4.2670	4.2670	4.3313	4.3313	1.0986	1.0986	1.0933
C2	3.6166		1.5395	2.3821	1.4348	2.2321	1.0989	1.0989	2.2098	2.2098	3.9782	3.9782	4.3497
C3	3.6449	1.5395		1.4602	2.3436	2.1870	2.2219	2.2219	1.1004	1.1004	4.2148	4.2148	4.0086
N4	2.4602	2.3821	1.4602		2.2658	1.2710	3.1446	3.1446	2.1058	2.1058	3.1676	3.1676	2.6055
O5	2.3965	1.4348	2.3436	2.2658		1.3607	2.0631	2.0631	3.1135	3.1135	2.6807	2.6807	3.3158
C6	1.4832	2.2321	2.1870	1.2710	1.3607		2.9752	2.9752	2.9438	2.9438	2.1273	2.1273	2.1183
H7	4.2670	1.0989	2.2219	3.1446	2.0631	2.9752		1.7848	2.4043	2.9891	4.3799	4.7266	5.0349
H8	4.2670	1.0989	2.2219	3.1446	2.0631	2.9752	1.7848		2.9891	2.4043	4.7266	4.3799	5.0349
H9	4.3313	2.2098	1.1004	2.1058	3.1135	2.9438	2.4043	2.9891		1.7672	4.7414	5.0604	4.6003
H10	4.3313	2.2098	1.1004	2.1058	3.1135	2.9438	2.9891	2.4043	1.7672		5.0604	4.7414	4.6003
H11	1.0986	3.9782	4.2148	3.1676	2.6807	2.1273	4.3799	4.7266	4.7414	5.0604		1.7691	1.7941
H12	1.0986	3.9782	4.2148	3.1676	2.6807	2.1273	4.7266	4.3799	5.0604	4.7414	1.7691		1.7941
H13	1.0933	4.3497	4.0086	2.6055	3.3158	2.1183	5.0349	5.0349	4.6003	4.6003	1.7941	1.7941

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.398	C1	C6	O5	114.785
C2	C3	N4	105.114	C2	C3	H9	112.607
C2	C3	H10	112.607	C2	O5	C6	105.936
C3	C2	O5	103.935	C3	C2	H7	113.688
C3	C2	H8	113.688	C3	N4	C6	106.198
N4	C3	H9	109.846	N4	C3	H10	109.846
N4	C6	O5	118.817	O5	C2	H7	108.299
O5	C2	H8	108.299	C6	C1	H11	110.072
C6	C1	H12	110.072	C6	C1	H13	109.676
H7	C2	H8	108.603	H9	C3	H10	106.831
H11	C1	H12	107.251	H11	C1	H13	109.869
H12	C1	H13	109.869

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

using model chemistry: B1B95/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	0.033
2	C	0.103
3	C	0.027
4	N	-0.278
5	O	-0.290
6	C	0.080
7	H	0.039
8	H	0.039
9	H	0.037
10	H	0.037
11	H	0.058
12	H	0.058
13	H	0.056

	x	y	z	Total
	0.944	-0.777	0.000	1.223
CHELPG
AIM
ESP

	x	y	z
x	7.465	0.712	0.000
y	0.712	9.212	0.000
z	0.000	0.000	5.725

<r²>	147.470
(<r²>)^1/2	12.144

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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