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	hartrees
Energy at 0K	-43.862632
Energy at 298.15K	-43.867036
HF Energy	-43.410090
Nuclear repulsion energy	81.080660

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3330	3218	0.15
2	A'	3320	3208	2.83
3	A'	3284	3173	1.91
4	A'	1474	1424	2.21
5	A'	1404	1356	20.70
6	A'	1286	1243	15.62
7	A'	1228	1187	1.33
8	A'	1125	1087	25.80
9	A'	1042	1007	0.67
10	A'	1013	979	22.89
11	A'	983	950	39.13
12	A'	871	841	18.04
13	A'	848	819	28.67
14	A"	798	771	1.11
15	A"	787	761	83.82
16	A"	714	690	28.39
17	A"	634	613	21.99
18	A"	586	567	7.49

Atom	x (Å)	y (Å)
O1	-1.134	0.320
C2	0.000	1.161
N3	1.157	0.477
C4	0.787	-0.918
C5	-0.627	-1.011
H6	-0.165	2.237
H7	1.530	-1.713
H8	-1.351	-1.822

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.4120	2.2969	2.2850	1.4241	2.1482	3.3518	2.1528
C2	1.4120		1.3442	2.2225	2.2604	1.0884	3.2563	3.2746
N3	2.2969	1.3442		1.4431	2.3233	2.2009	2.2219	3.4026
C4	2.2850	2.2225	1.4431		1.4169	3.2948	1.0892	2.3212
C5	1.4241	2.2604	2.3233	1.4169		3.2804	2.2691	1.0872
H6	2.1482	1.0884	2.2009	3.2948	3.2804		4.2984	4.2286
H7	3.3518	3.2563	2.2219	1.0892	2.2691	4.2984		2.8836
H8	2.1528	3.2746	3.4026	2.3212	1.0872	4.2286	2.8836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	112.865	O1	C2	H6	117.859
O1	C5	C4	107.090	O1	C5	H8	117.389
C2	O1	C5	105.696	C2	N3	C4	105.698
N3	C2	H6	129.276	N3	C4	C5	108.651
N3	C4	H7	122.047	C4	C5	H8	135.521
C5	C4	H7	129.301

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)