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	hartrees
Energy at 0K	-245.513453
Energy at 298.15K	-245.518081
HF Energy	-244.654300
Nuclear repulsion energy	163.299805

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3357	3171	0.38
2	A'	3336	3151	0.87
3	A'	3326	3142	2.24
4	A'	1556	1470	7.52
5	A'	1524	1439	23.97
6	A'	1365	1289	5.77
7	A'	1282	1211	1.08
8	A'	1207	1140	33.21
9	A'	1154	1090	5.92
10	A'	1123	1061	3.61
11	A'	1101	1040	31.78
12	A'	924	872	18.42
13	A'	911	861	13.90
14	A"	859	812	3.08
15	A"	835	788	25.64
16	A"	769	726	21.33
17	A"	674	636	21.49
18	A"	635	600	1.89

Atom	x (Å)	y (Å)
O1	-1.107	0.312
C2	0.000	1.091
N3	1.135	0.458
C4	0.756	-0.875
C5	-0.602	-0.954
H6	-0.171	2.154
H7	1.481	-1.670
H8	-1.323	-1.751

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3535	2.2467	2.2087	1.3631	2.0658	3.2599	2.0739
C2	1.3535		1.2994	2.1063	2.1317	1.0766	3.1331	3.1345
N3	2.2467	1.2994		1.3864	2.2387	2.1403	2.1561	3.3049
C4	2.2087	2.1063	1.3864		1.3599	3.1676	1.0762	2.2558
C5	1.3631	2.1317	2.2387	1.3599		3.1375	2.2029	1.0746
H6	2.0658	1.0766	2.1403	3.1676	3.1375		4.1655	4.0708
H7	3.2599	3.1331	2.1561	1.0762	2.2029	4.1655		2.8059
H8	2.0739	3.1345	3.3049	2.2558	1.0746	4.0708	2.8059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.733	O1	C2	H6	115.981
O1	C5	C4	108.417	O1	C5	H8	116.087
C2	O1	C5	103.389	C2	N3	C4	103.253
N3	C2	H6	128.286	N3	C4	C5	109.207
N3	C4	H7	121.713	C4	C5	H8	135.496
C5	C4	H7	129.080

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)