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	hartrees
Energy at 0K	-245.571990
Energy at 298.15K	-245.576502
HF Energy	-244.708533
Nuclear repulsion energy	163.275814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3354	3195	0.41
2	A'	3334	3176	0.75
3	A'	3321	3164	2.24
4	A'	1561	1487	4.36
5	A'	1527	1455	35.00
6	A'	1370	1306	6.22
7	A'	1300	1238	0.86
8	A'	1197	1140	35.22
9	A'	1143	1089	6.71
10	A'	1124	1071	5.66
11	A'	1098	1046	42.25
12	A'	930	886	19.32
13	A'	917	874	12.32
14	A"	788	751	56.08
15	A"	760	724	1.28
16	A"	690	657	6.54
17	A"	646	616	30.10
18	A"	579	551	0.10

Atom	x (Å)	y (Å)
O1	-1.106	0.310
C2	0.000	1.095
N3	1.130	0.461
C4	0.755	-0.875
C5	-0.599	-0.959
H6	-0.169	2.156
H7	1.482	-1.665
H8	-1.314	-1.760

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3567	2.2415	2.2055	1.3664	2.0711	3.2556	2.0796
C2	1.3567		1.2964	2.1094	2.1400	1.0746	3.1333	3.1425
N3	2.2415	1.2964		1.3870	2.2375	2.1363	2.1549	3.3020
C4	2.2055	2.1094	1.3870		1.3562	3.1686	1.0745	2.2497
C5	1.3664	2.1400	2.2375	1.3562		3.1452	2.1975	1.0730
H6	2.0711	1.0746	2.1363	3.1686	3.1452		4.1632	4.0800
H7	3.2556	3.1333	2.1549	1.0745	2.1975	4.1632		2.7973
H8	2.0796	3.1425	3.3020	2.2497	1.0730	4.0800	2.7973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.305	O1	C2	H6	116.347
O1	C5	C4	108.205	O1	C5	H8	116.448
C2	O1	C5	103.601	C2	N3	C4	103.591
N3	C2	H6	128.348	N3	C4	C5	109.298
N3	C4	H7	121.677	C4	C5	H8	135.347
C5	C4	H7	129.025

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)