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	hartrees
Energy at 0K	-243.798306
Energy at 298.15K	-243.802774
HF Energy	-243.241606
Nuclear repulsion energy	158.183183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3308	3238
2	A'	3291	3221
3	A'	3275	3206
4	A'	1490	1459
5	A'	1431	1400
6	A'	1299	1271
7	A'	1268	1241
8	A'	1150	1125
9	A'	1011	989
10	A'	998	977
11	A'	957	937
12	A'	869	851
13	A'	845	827
14	A"	848	830
15	A"	821	804
16	A"	757	741
17	A"	641	627
18	A"	599	586

Atom	x (Å)	y (Å)
O1	-1.155	0.301
C2	0.000	1.148
N3	1.147	0.501
C4	0.777	-0.902
C5	-0.584	-1.014
H6	-0.194	2.209
H7	1.531	-1.675
H8	-1.285	-1.834

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.4322	2.3102	2.2761	1.4333	2.1364	3.3340	2.1387
C2	1.4322		1.3165	2.1925	2.2393	1.0788	3.2111	3.2467
N3	2.3102	1.3165		1.4510	2.3001	2.1715	2.2097	3.3710
C4	2.2761	2.1925	1.4510		1.3660	3.2594	1.0792	2.2628
C5	1.4333	2.2393	2.3001	1.3660		3.2465	2.2155	1.0786
H6	2.1364	1.0788	2.1715	3.2594	3.2465		4.2498	4.1875
H7	3.3340	3.2111	2.2097	1.0792	2.2155	4.2498		2.8197
H8	2.1387	3.2467	3.3710	2.2628	1.0786	4.1875	2.8197

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	114.317	O1	C2	H6	115.891
O1	C5	C4	108.777	O1	C5	H8	116.016
C2	O1	C5	102.789	C2	N3	C4	104.679
N3	C2	H6	129.793	N3	C4	C5	109.438
N3	C4	H7	120.994	C4	C5	H8	135.206
C5	C4	H7	129.568

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP4=FULL/3-21G

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 C3H3NO (Oxazole)

using model chemistry: MP4=FULL/3-21G

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)