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	hartrees
Energy at 0K	-241.809094
Energy at 298.15K	-241.813466
HF Energy	-241.503009
Nuclear repulsion energy	157.971875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3590	3191	8.66
2	A'	3561	3165	15.05
3	A'	3557	3162	14.80
4	A'	1629	1448	5.36
5	A'	1573	1399	2.38
6	A'	1417	1260	16.03
7	A'	1294	1150	1.91
8	A'	1285	1142	25.30
9	A'	1175	1044	1.50
10	A'	1150	1022	10.79
11	A'	1106	983	1.23
12	A'	942	837	12.16
13	A'	921	819	2.00
14	A"	914	812	0.01
15	A"	825	734	15.96
16	A"	812	722	6.23
17	A"	651	579	2.75
18	A"	622	553	1.22

Atom	x (Å)	y (Å)
O1	-1.152	0.321
C2	0.000	1.125
N3	1.188	0.473
C4	0.770	-0.908
C5	-0.618	-0.978
H6	-0.168	2.216
H7	1.499	-1.730
H8	-1.344	-1.804

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.4044	2.3444	2.2814	1.4045	2.1341	3.3517	2.1343
C2	1.4044		1.3552	2.1742	2.1920	1.1032	3.2250	3.2231
N3	2.3444	1.3552		1.4426	2.3165	2.2081	2.2250	3.4055
C4	2.2814	2.1742	1.4426		1.3902	3.2614	1.0986	2.2968
C5	1.4045	2.1920	2.3165	1.3902		3.2249	2.2467	1.1001
H6	2.1341	1.1032	2.2081	3.2614	3.2249		4.2835	4.1882
H7	3.3517	3.2250	2.2250	1.0986	2.2467	4.2835		2.8441
H8	2.1343	3.2231	3.4055	2.2968	1.1001	4.1882	2.8441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	116.312	O1	C2	H6	116.142
O1	C5	C4	109.439	O1	C5	H8	116.371
C2	O1	C5	102.594	C2	N3	C4	101.948
N3	C2	H6	127.547	N3	C4	C5	109.707
N3	C4	H7	121.640	C4	C5	H8	134.190
C5	C4	H7	128.653

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)