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	hartrees
Energy at 0K	-245.552974
Energy at 298.15K	-245.557625
HF Energy	-244.655105
Nuclear repulsion energy	163.719318

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3366	3163	0.32
2	A'	3344	3143	0.82
3	A'	3336	3136	2.38
4	A'	1561	1467	7.38
5	A'	1529	1437	24.97
6	A'	1371	1288	5.29
7	A'	1285	1208	1.21
8	A'	1215	1142	33.19
9	A'	1162	1093	5.75
10	A'	1126	1058	4.09
11	A'	1106	1039	31.29
12	A'	930	874	18.46
13	A'	917	862	14.00
14	A"	870	818	2.64
15	A"	848	797	22.02
16	A"	778	731	24.63
17	A"	681	640	21.10
18	A"	642	604	2.63

Atom	x (Å)	y (Å)
O1	-1.105	0.311
C2	0.000	1.088
N3	1.132	0.457
C4	0.754	-0.873
C5	-0.600	-0.951
H6	-0.171	2.149
H7	1.478	-1.667
H8	-1.319	-1.747

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3502	2.2415	2.2038	1.3598	2.0611	3.2530	2.0698
C2	1.3502		1.2961	2.1007	2.1255	1.0748	3.1262	3.1271
N3	2.2415	1.2961		1.3824	2.2322	2.1359	2.1518	3.2967
C4	2.2038	2.1007	1.3824		1.3562	3.1603	1.0744	2.2504
C5	1.3598	2.1255	2.2322	1.3562		3.1297	2.1974	1.0731
H6	2.0611	1.0748	2.1359	3.1603	3.1297		4.1570	4.0619
H7	3.2530	3.1262	2.1518	1.0744	2.1974	4.1570		2.7983
H8	2.0698	3.1271	3.2967	2.2504	1.0731	4.0619	2.7983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.761	O1	C2	H6	115.938
O1	C5	C4	108.473	O1	C5	H8	116.096
C2	O1	C5	103.316	C2	N3	C4	103.261
N3	C2	H6	128.301	N3	C4	C5	109.189
N3	C4	H7	121.790	C4	C5	H8	135.431
C5	C4	H7	129.021

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)