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	hartrees
Energy at 0K	-245.560110
Energy at 298.15K	-245.564727
HF Energy	-244.688141
Nuclear repulsion energy	163.159966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3344	3172	0.46
2	A'	3324	3153	0.36
3	A'	3309	3139	2.08
4	A'	1557	1477	7.93
5	A'	1523	1445	28.32
6	A'	1367	1297	4.26
7	A'	1280	1214	1.16
8	A'	1202	1140	35.12
9	A'	1157	1097	6.33
10	A'	1116	1059	2.18
11	A'	1102	1045	38.83
12	A'	925	878	23.56
13	A'	913	866	8.07
14	A"	849	805	1.47
15	A"	825	783	36.93
16	A"	757	718	25.02
17	A"	666	632	24.95
18	A"	626	594	2.56

Atom	x (Å)	y (Å)
O1	-1.108	0.311
C2	0.000	1.092
N3	1.135	0.459
C4	0.757	-0.875
C5	-0.603	-0.956
H6	-0.171	2.157
H7	1.485	-1.671
H8	-1.323	-1.756

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3552	2.2473	2.2101	1.3639	2.0698	3.2636	2.0786
C2	1.3552		1.2992	2.1079	2.1349	1.0783	3.1368	3.1406
N3	2.2473	1.2992		1.3870	2.2411	2.1414	2.1587	3.3090
C4	2.2101	2.1079	1.3870		1.3624	3.1708	1.0785	2.2590
C5	1.3639	2.1349	2.2411	1.3624		3.1426	2.2071	1.0766
H6	2.0698	1.0783	2.1414	3.1708	3.1426		4.1704	4.0792
H7	3.2636	3.1368	2.1587	1.0785	2.2071	4.1704		2.8096
H8	2.0786	3.1406	3.3090	2.2590	1.0766	4.0792	2.8096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.670	O1	C2	H6	116.078
O1	C5	C4	108.322	O1	C5	H8	116.304
C2	O1	C5	103.468	C2	N3	C4	103.343
N3	C2	H6	128.252	N3	C4	C5	109.197
N3	C4	H7	121.731	C4	C5	H8	135.374
C5	C4	H7	129.072

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)