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	hartrees
Energy at 0K	-44.235679
Energy at 298.15K	-44.240219
HF Energy	-43.550807
Nuclear repulsion energy	83.280336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3330	3162	1.25
2	A'	3319	3151	0.61
3	A'	3295	3128	2.32
4	A'	1554	1475	4.16
5	A'	1516	1440	37.83
6	A'	1360	1292	3.69
7	A'	1267	1203	1.58
8	A'	1191	1130	42.27
9	A'	1141	1084	3.60
10	A'	1108	1052	0.93
11	A'	1082	1028	47.42
12	A'	899	854	18.03
13	A'	892	847	13.40
14	A"	832	790	8.25
15	A"	813	772	59.82
16	A"	737	700	35.64
17	A"	659	626	20.76
18	A"	616	585	2.66

Atom	x (Å)	y (Å)
O1	-1.122	0.317
C2	0.000	1.105
N3	1.151	0.464
C4	0.774	-0.887
C5	-0.619	-0.969
H6	-0.172	2.182
H7	1.513	-1.688
H8	-1.351	-1.775

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3714	2.2777	2.2456	1.3806	2.0935	3.3107	2.1036
C2	1.3714		1.3172	2.1367	2.1643	1.0904	3.1764	3.1806
N3	2.2777	1.3172		1.4023	2.2772	2.1677	2.1824	3.3570
C4	2.2456	2.1367	1.4023		1.3952	3.2108	1.0900	2.3028
C5	1.3806	2.1643	2.2772	1.3952		3.1824	2.2495	1.0884
H6	2.0935	1.0904	2.1677	3.2108	3.1824		4.2205	4.1283
H7	3.3107	3.1764	2.1824	1.0900	2.2495	4.2205		2.8647
H8	2.1036	3.1806	3.3570	2.3028	1.0884	4.1283	2.8647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.797	O1	C2	H6	116.038
O1	C5	C4	107.996	O1	C5	H8	116.363
C2	O1	C5	103.709	C2	N3	C4	103.523
N3	C2	H6	128.165	N3	C4	C5	108.975
N3	C4	H7	121.745	C4	C5	H8	135.641
C5	C4	H7	129.280

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2/CEP-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/CEP-31G*

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)