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	hartrees
Energy at 0K	-245.385731
Energy at 298.15K	-245.390344
HF Energy	-244.648327
Nuclear repulsion energy	162.203418

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3347	3188	0.36
2	A'	3328	3170	0.35
3	A'	3312	3155	1.77
4	A'	1559	1485	5.59
5	A'	1528	1455	28.18
6	A'	1364	1299	3.72
7	A'	1270	1210	0.87
8	A'	1193	1136	34.06
9	A'	1154	1099	5.63
10	A'	1109	1056	1.98
11	A'	1093	1041	35.27
12	A'	919	875	23.94
13	A'	908	865	8.31
14	A"	853	813	1.51
15	A"	822	783	34.48
16	A"	758	722	23.43
17	A"	667	636	21.40
18	A"	631	601	2.82

Atom	x (Å)	y (Å)
O1	-1.114	0.314
C2	0.000	1.096
N3	1.143	0.461
C4	0.762	-0.879
C5	-0.609	-0.959
H6	-0.171	2.171
H7	1.496	-1.685
H8	-1.336	-1.768

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3613	2.2624	2.2240	1.3694	2.0834	3.2873	2.0933
C2	1.3613		1.3080	2.1173	2.1431	1.0888	3.1575	3.1597
N3	2.2624	1.3080		1.3932	2.2551	2.1569	2.1743	3.3333
C4	2.2240	2.1173	1.3932		1.3737	3.1901	1.0892	2.2783
C5	1.3694	2.1431	2.2551	1.3737		3.1606	2.2262	1.0873
H6	2.0834	1.0888	2.1569	3.1901	3.1606		4.2007	4.1076
H7	3.2873	3.1575	2.1743	1.0892	2.2262	4.2007		2.8323
H8	2.0933	3.1597	3.3333	2.2783	1.0873	4.1076	2.8323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.884	O1	C2	H6	116.051
O1	C5	C4	108.341	O1	C5	H8	116.406
C2	O1	C5	103.405	C2	N3	C4	103.187
N3	C2	H6	128.065	N3	C4	C5	109.183
N3	C4	H7	121.827	C4	C5	H8	135.252
C5	C4	H7	128.990

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2/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: MP2/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)