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	hartrees
Energy at 0K	-245.394578
Energy at 298.15K	-245.399195
HF Energy	-244.635572
Nuclear repulsion energy	162.804733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3379	3181	0.81
2	A'	3355	3159	0.48
3	A'	3343	3147	2.63
4	A'	1638	1542	10.83
5	A'	1597	1503	30.65
6	A'	1402	1320	5.72
7	A'	1313	1236	0.08
8	A'	1212	1141	33.34
9	A'	1141	1074	16.03
10	A'	1132	1066	2.68
11	A'	1093	1029	37.04
12	A'	931	876	15.59
13	A'	919	865	18.23
14	A"	870	819	1.72
15	A"	852	802	20.11
16	A"	765	720	23.15
17	A"	659	620	28.78
18	A"	614	578	3.68

Atom	x (Å)	y (Å)
O1	-1.108	0.310
C2	0.000	1.098
N3	1.131	0.468
C4	0.755	-0.877
C5	-0.598	-0.966
H6	-0.168	2.160
H7	1.483	-1.668
H8	-1.309	-1.770

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3598	2.2449	2.2087	1.3740	2.0754	3.2598	2.0889
C2	1.3598		1.2948	2.1141	2.1484	1.0753	3.1383	3.1520
N3	2.2449	1.2948		1.3966	2.2459	2.1332	2.1645	3.3107
C4	2.2087	2.1141	1.3966		1.3551	3.1739	1.0753	2.2485
C5	1.3740	2.1484	2.2459	1.3551		3.1552	2.1960	1.0735
H6	2.0754	1.0753	2.1332	3.1739	3.1552		4.1687	4.0918
H7	3.2598	3.1383	2.1645	1.0753	2.1960	4.1687		2.7943
H8	2.0889	3.1520	3.3107	2.2485	1.0735	4.0918	2.7943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.466	O1	C2	H6	116.438
O1	C5	C4	108.057	O1	C5	H8	116.656
C2	O1	C5	103.602	C2	N3	C4	103.472
N3	C2	H6	128.096	N3	C4	C5	109.403
N3	C4	H7	121.704	C4	C5	H8	135.287
C5	C4	H7	128.894

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)