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	hartrees
Energy at 0K	-245.537355
Energy at 298.15K	-245.541949
HF Energy	-244.681836
Nuclear repulsion energy	163.135893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3161	0.63
2	A'	3320	3144	0.24
3	A'	3305	3130	2.12
4	A'	1562	1479	7.41
5	A'	1528	1447	28.32
6	A'	1371	1298	5.27
7	A'	1284	1216	1.01
8	A'	1202	1138	37.03
9	A'	1156	1095	6.76
10	A'	1121	1062	2.15
11	A'	1102	1044	41.27
12	A'	927	878	24.09
13	A'	916	868	9.13
14	A"	831	787	2.58
15	A"	814	771	42.15
16	A"	740	701	26.51
17	A"	667	632	26.75
18	A"	628	595	3.08

Atom	x (Å)	y (Å)
O1	-1.108	0.311
C2	0.000	1.092
N3	1.135	0.459
C4	0.757	-0.876
C5	-0.603	-0.956
H6	-0.171	2.158
H7	1.487	-1.671
H8	-1.324	-1.756

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3553	2.2471	2.2103	1.3642	2.0706	3.2648	2.0789
C2	1.3553		1.2992	2.1084	2.1352	1.0791	3.1376	3.1413
N3	2.2471	1.2992		1.3873	2.2410	2.1420	2.1590	3.3099
C4	2.2103	2.1084	1.3873		1.3622	3.1720	1.0793	2.2600
C5	1.3642	2.1352	2.2410	1.3622		3.1437	2.2084	1.0774
H6	2.0706	1.0791	2.1420	3.1720	3.1437		4.1719	4.0805
H7	3.2648	3.1376	2.1590	1.0793	2.2084	4.1719		2.8123
H8	2.0789	3.1413	3.3099	2.2600	1.0774	4.0805	2.8123

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.660	O1	C2	H6	116.088
O1	C5	C4	108.329	O1	C5	H8	116.241
C2	O1	C5	103.468	C2	N3	C4	103.360
N3	C2	H6	128.252	N3	C4	C5	109.183
N3	C4	H7	121.668	C4	C5	H8	135.430
C5	C4	H7	129.149

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)