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	hartrees
Energy at 0K	-245.370775
Energy at 298.15K	-245.375352
HF Energy	-244.628985
Nuclear repulsion energy	162.804890

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3361	3167	0.34
2	A'	3341	3148	0.25
3	A'	3328	3136	1.78
4	A'	1583	1492	5.45
5	A'	1546	1456	28.69
6	A'	1387	1307	6.78
7	A'	1299	1224	0.44
8	A'	1213	1143	37.08
9	A'	1157	1090	4.76
10	A'	1136	1070	4.41
11	A'	1103	1039	37.66
12	A'	922	869	20.52
13	A'	914	862	13.92
14	A"	830	782	6.58
15	A"	811	765	33.94
16	A"	738	695	18.26
17	A"	669	630	25.82
18	A"	625	589	1.98

Atom	x (Å)	y (Å)
O1	-1.109	0.310
C2	0.000	1.098
N3	1.134	0.460
C4	0.757	-0.876
C5	-0.601	-0.961
H6	-0.170	2.164
H7	1.488	-1.670
H8	-1.321	-1.764

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3601	2.2484	2.2110	1.3696	2.0777	3.2663	2.0850
C2	1.3601		1.3012	2.1137	2.1451	1.0799	3.1426	3.1517
N3	2.2484	1.3012		1.3884	2.2434	2.1460	2.1596	3.3128
C4	2.2110	2.1137	1.3884		1.3604	3.1782	1.0798	2.2594
C5	1.3696	2.1451	2.2434	1.3604		3.1550	2.2062	1.0780
H6	2.0777	1.0799	2.1460	3.1782	3.1550		4.1776	4.0929
H7	3.2663	3.1426	2.1596	1.0798	2.2062	4.1776		2.8107
H8	2.0850	3.1517	3.3128	2.2594	1.0780	4.0929	2.8107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.295	O1	C2	H6	116.289
O1	C5	C4	108.167	O1	C5	H8	116.332
C2	O1	C5	103.597	C2	N3	C4	103.553
N3	C2	H6	128.416	N3	C4	C5	109.388
N3	C4	H7	121.571	C4	C5	H8	135.501
C5	C4	H7	129.041

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2=FULL/6-31G*

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: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)