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	hartrees
Energy at 0K	-245.394791
Energy at 298.15K	-245.399393
HF Energy	-244.635042
Nuclear repulsion energy	162.934241

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3392	3169	0.40
2	A'	3372	3150	0.17
3	A'	3358	3138	1.76
4	A'	1587	1483	4.23
5	A'	1550	1448	30.56
6	A'	1393	1302	6.14
7	A'	1304	1218	0.40
8	A'	1214	1134	35.07
9	A'	1160	1084	4.60
10	A'	1137	1062	3.89
11	A'	1105	1032	36.38
12	A'	922	862	20.70
13	A'	914	854	12.00
14	A"	844	788	5.02
15	A"	819	765	31.85
16	A"	748	699	17.41
17	A"	669	625	23.75
18	A"	625	584	1.65

Atom	x (Å)	y (Å)
O1	-1.109	0.310
C2	0.000	1.097
N3	1.135	0.460
C4	0.757	-0.875
C5	-0.601	-0.961
H6	-0.169	2.157
H7	1.482	-1.667
H8	-1.315	-1.761

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3598	2.2492	2.2107	1.3689	2.0726	3.2597	2.0812
C2	1.3598		1.3011	2.1119	2.1434	1.0742	3.1359	3.1455
N3	2.2492	1.3011		1.3878	2.2433	2.1404	2.1552	3.3069
C4	2.2107	2.1119	1.3878		1.3605	3.1707	1.0739	2.2533
C5	1.3689	2.1434	2.2433	1.3605		3.1479	2.1998	1.0724
H6	2.0726	1.0742	2.1404	3.1707	3.1479		4.1656	4.0822
H7	3.2597	3.1359	2.1552	1.0739	2.1998	4.1656		2.7992
H8	2.0812	3.1455	3.3069	2.2533	1.0724	4.0822	2.7992

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.385	O1	C2	H6	116.263
O1	C5	C4	108.187	O1	C5	H8	116.443
C2	O1	C5	103.533	C2	N3	C4	103.471
N3	C2	H6	128.352	N3	C4	C5	109.423
N3	C4	H7	121.681	C4	C5	H8	135.369
C5	C4	H7	128.896

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)