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	hartrees
Energy at 0K	-245.486478
Energy at 298.15K	-245.490977
HF Energy	-244.708305
Nuclear repulsion energy	163.155036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3357	3182	0.42
2	A'	3336	3162	0.72
3	A'	3325	3152	2.21
4	A'	1560	1479	4.24
5	A'	1526	1447	35.28
6	A'	1368	1297	6.14
7	A'	1298	1230	0.86
8	A'	1194	1132	35.09
9	A'	1141	1081	6.55
10	A'	1122	1064	6.56
11	A'	1096	1039	41.69
12	A'	928	880	19.27
13	A'	916	868	12.37
14	A"	784	743	56.01
15	A"	753	714	1.48
16	A"	683	648	5.52
17	A"	644	610	31.17
18	A"	575	545	0.06

Atom	x (Å)	y (Å)
O1	-1.107	0.310
C2	0.000	1.096
N3	1.131	0.461
C4	0.755	-0.875
C5	-0.599	-0.960
H6	-0.169	2.158
H7	1.483	-1.667
H8	-1.315	-1.761

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3576	2.2431	2.2071	1.3673	2.0724	3.2578	2.0809
C2	1.3576		1.2973	2.1109	2.1415	1.0753	3.1355	3.1447
N3	2.2431	1.2973		1.3881	2.2392	2.1378	2.1565	3.3044
C4	2.2071	2.1109	1.3881		1.3574	3.1708	1.0752	2.2515
C5	1.3673	2.1415	2.2392	1.3574		3.1474	2.1992	1.0737
H6	2.0724	1.0753	2.1378	3.1708	3.1474		4.1661	4.0827
H7	3.2578	3.1355	2.1565	1.0752	2.1992	4.1661		2.7994
H8	2.0809	3.1447	3.3044	2.2515	1.0737	4.0827	2.7994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.306	O1	C2	H6	116.344
O1	C5	C4	108.199	O1	C5	H8	116.447
C2	O1	C5	103.609	C2	N3	C4	103.591
N3	C2	H6	128.350	N3	C4	C5	109.295
N3	C4	H7	121.682	C4	C5	H8	135.354
C5	C4	H7	129.023

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)