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	hartrees
Energy at 0K	-245.450964
Energy at 298.15K	-245.455599
HF Energy	-244.683074
Nuclear repulsion energy	163.372524

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3168	1.15
2	A'	3295	3147	0.38
3	A'	3283	3136	2.41
4	A'	1628	1555	18.47
5	A'	1578	1507	26.88
6	A'	1393	1331	2.86
7	A'	1295	1237	0.20
8	A'	1223	1169	45.35
9	A'	1146	1094	10.94
10	A'	1133	1082	7.11
11	A'	1106	1056	40.34
12	A'	945	903	19.62
13	A'	930	888	14.89
14	A"	867	828	6.70
15	A"	846	808	20.38
16	A"	767	732	32.72
17	A"	665	635	30.66
18	A"	625	597	6.05

Atom	x (Å)	y (Å)
O1	-1.102	0.310
C2	0.000	1.092
N3	1.128	0.465
C4	0.753	-0.877
C5	-0.600	-0.959
H6	-0.169	2.160
H7	1.486	-1.672
H8	-1.320	-1.762

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3513	2.2353	2.2023	1.3643	2.0718	3.2594	2.0836
C2	1.3513		1.2904	2.1082	2.1365	1.0809	3.1382	3.1447
N3	2.2353	1.2904		1.3935	2.2387	2.1337	2.1672	3.3096
C4	2.2023	2.1082	1.3935		1.3553	3.1735	1.0811	2.2541
C5	1.3643	2.1365	2.2387	1.3553		3.1479	2.2039	1.0791
H6	2.0718	1.0809	2.1337	3.1735	3.1479		4.1738	4.0874
H7	3.2594	3.1382	2.1672	1.0811	2.2039	4.1738		2.8067
H8	2.0836	3.1447	3.3096	2.2541	1.0791	4.0874	2.8067

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.571	O1	C2	H6	116.383
O1	C5	C4	108.149	O1	C5	H8	116.538
C2	O1	C5	103.765	C2	N3	C4	103.460
N3	C2	H6	128.046	N3	C4	C5	109.055
N3	C4	H7	121.758	C4	C5	H8	135.313
C5	C4	H7	129.187

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CCD/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: CCD/6-311G*

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)