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	hartrees
Energy at 0K	-286.515288
Energy at 298.15K	-286.524216
Nuclear repulsion energy	241.073392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3193	3081	2.93
2	A	3062	2955	17.52
3	A	3061	2954	43.21
4	A	3043	2937	45.44
5	A	1767	1705	143.20
6	A	1501	1448	4.87
7	A	1471	1420	0.14
8	A	1446	1396	8.46
9	A	1409	1359	70.36
10	A	1365	1317	6.06
11	A	1325	1279	12.12
12	A	1254	1210	81.01
13	A	1088	1050	5.76
14	A	1040	1004	91.76
15	A	995	960	0.80
16	A	955	922	17.40
17	A	920	888	21.30
18	A	764	737	5.47
19	A	671	647	2.47
20	A	347	335	5.53
21	A	3136	3027	5.77
22	A	3114	3005	40.47
23	A	3078	2971	7.42
24	A	1443	1392	9.33
25	A	1234	1191	0.05
26	A	1205	1163	1.80
27	A	1107	1069	0.00
28	A	1046	1010	3.85
29	A	823	794	0.05
30	A	597	576	3.85
31	A	237	229	9.90
32	A	143	138	1.21
33	A	71	68	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.329	2.125	0.000
C2	0.547	-1.496	0.000
C3	-0.983	-1.286	0.000
N4	-1.168	0.166	0.000
O5	1.080	-0.158	0.000
C6	0.000	0.676	0.000
H7	0.923	-2.017	0.894
H8	0.923	-2.017	-0.894
H9	-1.471	-1.726	0.886
H10	-1.471	-1.726	-0.886
H11	0.932	2.377	0.886
H12	0.932	2.377	-0.886
H13	-0.595	2.714	0.000

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6281	3.6549	2.4656	2.4037	1.4866	4.2791	4.2791	4.3425	4.3425	1.1008	1.1008	1.0956
C2	3.6281		1.5448	2.3886	1.4403	2.2398	1.1011	1.1011	2.2162	2.2162	3.9921	3.9921	4.3620
C3	3.6549	1.5448		1.4638	2.3514	2.1941	2.2290	2.2290	1.1028	1.1028	4.2273	4.2273	4.0181
N4	2.4656	2.3886	1.4638		2.2712	1.2740	3.1525	3.1525	2.1110	2.1110	3.1751	3.1751	2.6108
O5	2.4037	1.4403	2.3514	2.2712		1.3645	2.0688	2.0688	3.1228	3.1228	2.6898	2.6898	3.3245
C6	1.4866	2.2398	2.1941	1.2740	1.3645		2.9837	2.9837	2.9523	2.9523	2.1328	2.1328	2.1229
H7	4.2791	1.1011	2.2290	3.1525	2.0688	2.9837		1.7887	2.4121	2.9977	4.3942	4.7413	5.0480
H8	4.2791	1.1011	2.2290	3.1525	2.0688	2.9837	1.7887		2.9977	2.4121	4.7413	4.3942	5.0480
H9	4.3425	2.2162	1.1028	2.1110	3.1228	2.9523	2.4121	2.9977		1.7711	4.7549	5.0743	4.6108
H10	4.3425	2.2162	1.1028	2.1110	3.1228	2.9523	2.9977	2.4121	1.7711		5.0743	4.7549	4.6108
H11	1.1008	3.9921	4.2273	3.1751	2.6898	2.1328	4.3942	4.7413	4.7549	5.0743		1.7726	1.7971
H12	1.1008	3.9921	4.2273	3.1751	2.6898	2.1328	4.7413	4.3942	5.0743	4.7549	1.7726		1.7971
H13	1.0956	4.3620	4.0181	2.6108	3.3245	2.1229	5.0480	5.0480	4.6108	4.6108	1.7971	1.7971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.364	C1	C6	O5	114.866
C2	C3	N4	105.073	C2	C3	H9	112.598
C2	C3	H10	112.598	C2	O5	C6	105.949
C3	C2	O5	103.888	C3	C2	H7	113.741
C3	C2	H8	113.741	C3	N4	C6	106.320
N4	C3	H9	109.870	N4	C3	H10	109.870
N4	C6	O5	118.770	O5	C2	H7	108.246
O5	C2	H8	108.246	C6	C1	H11	110.142
C6	C1	H12	110.142	C6	C1	H13	109.673
H7	C2	H8	108.635	H9	C3	H10	106.843
H11	C1	H12	107.240	H11	C1	H13	109.806
H12	C1	H13	109.806

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

using model chemistry: B3PW91/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	-0.009
2	C	0.081
3	C	0.004
4	N	-0.286
5	O	-0.294
6	C	0.099
7	H	0.050
8	H	0.050
9	H	0.049
10	H	0.049
11	H	0.069
12	H	0.069
13	H	0.068

	x	y	z	Total
	0.961	-0.792	0.000	1.245
CHELPG
AIM
ESP

<r²>	148.175
(<r²>)^1/2	12.173

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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