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	hartrees
Energy at 0K	-245.399611
Energy at 298.15K	-245.404270
HF Energy	-244.650121
Nuclear repulsion energy	162.613227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3339	3194	0.61
2	A'	3316	3173	0.15
3	A'	3303	3160	2.08
4	A'	1630	1560	15.70
5	A'	1583	1514	27.01
6	A'	1392	1332	2.08
7	A'	1288	1232	0.09
8	A'	1220	1167	41.24
9	A'	1146	1096	12.26
10	A'	1126	1077	3.92
11	A'	1100	1053	35.10
12	A'	939	898	18.71
13	A'	924	884	14.64
14	A"	884	846	1.36
15	A"	862	824	18.84
16	A"	783	749	29.22
17	A"	667	638	25.25
18	A"	627	600	5.31

Atom	x (Å)	y (Å)
O1	-1.108	0.312
C2	0.000	1.095
N3	1.136	0.466
C4	0.758	-0.880
C5	-0.605	-0.960
H6	-0.169	2.171
H7	1.493	-1.685
H8	-1.329	-1.772

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3564	2.2491	2.2142	1.3683	2.0828	3.2791	2.0962
C2	1.3564		1.2982	2.1150	2.1422	1.0896	3.1551	3.1601
N3	2.2491	1.2982		1.3981	2.2507	2.1468	2.1804	3.3299
C4	2.2142	2.1150	1.3981		1.3654	3.1887	1.0900	2.2701
C5	1.3683	2.1422	2.2507	1.3654		3.1618	2.2196	1.0881
H6	2.0828	1.0896	2.1468	3.1887	3.1618		4.1987	4.1107
H7	3.2791	3.1551	2.1804	1.0900	2.2196	4.1987		2.8237
H8	2.0962	3.1601	3.3299	2.2701	1.0881	4.1107	2.8237

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.810	O1	C2	H6	116.334
O1	C5	C4	108.184	O1	C5	H8	116.701
C2	O1	C5	103.670	C2	N3	C4	103.274
N3	C2	H6	127.856	N3	C4	C5	109.061
N3	C4	H7	121.918	C4	C5	H8	135.115
C5	C4	H7	129.022

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CCD/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)