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	hartrees
Energy at 0K	-52.268094
Energy at 298.15K	-52.277781
Nuclear repulsion energy	129.548846

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3218	3066	6.02
2	A	3107	2961	56.13
3	A	3093	2947	41.28
4	A	3087	2941	9.98
5	A	1706	1625	99.81
6	A	1562	1488	1.39
7	A	1537	1464	0.21
8	A	1518	1446	11.72
9	A	1448	1379	34.30
10	A	1392	1326	12.64
11	A	1355	1291	13.42
12	A	1258	1199	111.32
13	A	1095	1043	0.95
14	A	1028	980	85.65
15	A	988	941	3.48
16	A	961	916	33.35
17	A	904	861	25.51
18	A	744	709	6.00
19	A	655	624	3.20
20	A	346	329	5.96
21	A	3178	3028	42.69
22	A	3176	3026	12.31
23	A	3146	2998	5.64
24	A	1510	1439	10.66
25	A	1248	1189	0.27
26	A	1220	1163	1.60
27	A	1131	1077	0.04
28	A	1070	1019	0.70
29	A	833	793	0.41
30	A	569	542	3.64
31	A	237	225	11.81
32	A	137	131	1.22

Atom	x (Å)	y (Å)	z (Å)
C1	2.169	0.007	0.015
C2	-1.397	-0.775	0.102
C3	-1.442	0.761	-0.075
N4	-0.027	1.195	0.063
O5	0.012	-1.102	-0.107
C6	0.672	0.113	0.002
H7	-1.664	-1.086	1.119
H8	-1.982	-1.338	-0.629
H9	-2.063	1.255	0.678
H10	-1.802	1.054	-1.069
H11	2.492	-0.603	0.864
H12	2.510	-0.481	-0.903
H13	2.596	1.008	0.087

	C1	C2	C3	N4	O5	C6	H7	H8	H9	H10	H11	H12	H13
C1		3.6514	3.6897	2.4969	2.4277	1.5006	4.1358	4.4103	4.4610	4.2472	1.0941	1.0944	1.0904
C2	3.6514		1.5473	2.3999	1.4617	2.2534	1.0963	1.0922	2.2126	2.2100	3.9667	4.0445	4.3734
C3	3.6897	1.5473		1.4862	2.3636	2.2125	2.2110	2.2367	1.0938	1.0972	4.2688	4.2243	4.0493
N4	2.4969	2.3999	1.4862		2.3032	1.2898	3.0000	3.2730	2.1275	2.1097	3.1974	3.1902	2.6305
O5	2.4277	1.4617	2.3636	2.3032		1.3860	2.0771	2.0750	3.2366	2.9776	2.7092	2.6933	3.3413
C6	1.5006	2.2534	2.2125	1.2898	1.3860		2.8533	3.0893	3.0396	2.8556	2.1375	2.1330	2.1243
H7	4.1358	1.0963	2.2110	3.0000	2.0771	2.8533		1.7941	2.4152	3.0643	4.1923	4.6770	4.8584
H8	4.4103	1.0922	2.2367	3.2730	2.0750	3.0893	1.7941		2.9042	2.4387	4.7734	4.5807	5.1937
H9	4.4610	2.2126	1.0938	2.1275	3.2366	3.0396	2.4152	2.9042		1.7783	4.9230	5.1401	4.7032
H10	4.2472	2.2100	1.0972	2.1097	2.9776	2.8556	3.0643	2.4387	1.7783		4.9925	4.5800	4.5482
H11	1.0941	3.9667	4.2688	3.1974	2.7092	2.1375	4.1923	4.7734	4.9230	4.9925		1.7705	1.7915
H12	1.0944	4.0445	4.2243	3.1902	2.6933	2.1330	4.6770	4.5807	5.1401	4.5800	1.7705		1.7899
H13	1.0904	4.3734	4.0493	2.6305	3.3413	2.1243	4.8584	5.1937	4.7032	4.5482	1.7915	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C6	N4	126.805	C1	C6	O5	114.434
C2	C3	N4	104.559	C2	C3	H9	112.674
C2	C3	H10	112.255	C2	O5	C6	104.581
C3	C2	O5	103.499	C3	C2	H7	112.394
C3	C2	H8	114.758	C3	N4	C6	105.466
N4	C3	H9	110.168	N4	C3	H10	108.562
N4	C6	O5	118.753	O5	C2	H7	107.731
O5	C2	H8	107.798	C6	C1	H11	109.939
C6	C1	H12	109.568	C6	C1	H13	109.119
H7	C2	H8	110.126	H9	C3	H10	108.508
H11	C1	H12	107.999	H11	C1	H13	110.184
H12	C1	H13	110.018

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

using model chemistry: MP2/CEP-121G*

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

using model chemistry: MP2/CEP-121G*

States and conformations

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