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	hartrees
Energy at 0K	-245.010302
Energy at 298.15K	-245.014754
HF Energy	-244.493746
Nuclear repulsion energy	158.782301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3362	3194	0.24
2	A'	3352	3185	0.53
3	A'	3326	3160	0.92
4	A'	1514	1439	2.49
5	A'	1447	1375	15.93
6	A'	1319	1253	20.18
7	A'	1266	1202	2.03
8	A'	1163	1105	12.42
9	A'	1050	998	2.45
10	A'	1011	961	16.60
11	A'	1007	957	41.42
12	A'	887	842	13.49
13	A'	868	825	35.18
14	A"	804	764	9.09
15	A"	786	746	48.60
16	A"	721	685	13.67
17	A"	640	608	30.75
18	A"	597	567	9.36

Atom	x (Å)	y (Å)
O1	-1.120	0.313
C2	0.000	1.154
N3	1.138	0.474
C4	0.769	-0.906
C5	-0.607	-1.004
H6	-0.164	2.220
H7	1.507	-1.693
H8	-1.319	-1.813

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.4004	2.2638	2.2478	1.4133	2.1326	3.3054	2.1355
C2	1.4004		1.3256	2.1984	2.2413	1.0783	3.2213	3.2470
N3	2.2638	1.3256		1.4286	2.2869	2.1777	2.1987	3.3572
C4	2.2478	2.1984	1.4286		1.3792	3.2616	1.0794	2.2766
C5	1.4133	2.2413	2.2869	1.3792		3.2536	2.2234	1.0781
H6	2.1326	1.0783	2.1777	3.2616	3.2536		4.2548	4.1948
H7	3.3054	3.2213	2.1987	1.0794	2.2234	4.2548		2.8287
H8	2.1355	3.2470	3.3572	2.2766	1.0781	4.1948	2.8287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	112.262	O1	C2	H6	118.140
O1	C5	C4	107.209	O1	C5	H8	117.365
C2	O1	C5	105.614	C2	N3	C4	105.857
N3	C2	H6	129.598	N3	C4	C5	109.059
N3	C4	H7	121.867	C4	C5	H8	135.426
C5	C4	H7	129.074

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)