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	hartrees
Energy at 0K	-245.021960
Energy at 298.15K	-245.026370
HF Energy	-244.528475
Nuclear repulsion energy	157.647673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3348	3224	0.93
2	A'	3339	3216	0.19
3	A'	3306	3184	2.07
4	A'	1470	1416	1.90
5	A'	1413	1361	22.45
6	A'	1296	1248	17.79
7	A'	1234	1189	1.17
8	A'	1135	1093	22.34
9	A'	1040	1002	1.42
10	A'	1003	966	23.97
11	A'	983	947	36.85
12	A'	874	841	22.37
13	A'	851	819	30.90
14	A"	799	770	9.46
15	A"	776	748	71.45
16	A"	718	692	18.90
17	A"	641	618	26.14
18	A"	597	575	12.09

Atom	x (Å)	y (Å)
O1	-1.123	0.317
C2	0.000	1.163
N3	1.143	0.475
C4	0.776	-0.915
C5	-0.615	-1.009
H6	-0.164	2.231
H7	1.517	-1.704
H8	-1.334	-1.817

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.4059	2.2716	2.2636	1.4198	2.1412	3.3246	2.1439
C2	1.4059		1.3341	2.2175	2.2572	1.0813	3.2431	3.2641
N3	2.2716	1.3341		1.4369	2.3008	2.1897	2.2103	3.3739
C4	2.2636	2.2175	1.4369		1.3948	3.2835	1.0824	2.2944
C5	1.4198	2.2572	2.3008	1.3948		3.2717	2.2428	1.0806
H6	2.1412	1.0813	2.1897	3.2835	3.2717		4.2792	4.2135
H7	3.3246	3.2431	2.2103	1.0824	2.2428	4.2792		2.8528
H8	2.1439	3.2641	3.3739	2.2944	1.0806	4.2135	2.8528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	111.976	O1	C2	H6	118.250
O1	C5	C4	107.066	O1	C5	H8	117.409
C2	O1	C5	106.033	C2	N3	C4	106.252
N3	C2	H6	129.774	N3	C4	C5	108.673
N3	C4	H7	122.016	C4	C5	H8	135.525
C5	C4	H7	129.312

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)