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	hartrees
Energy at 0K	-245.025098
Energy at 298.15K	-245.029567
HF Energy	-244.494952
Nuclear repulsion energy	158.965487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3319	3198	0.40
2	A'	3309	3189	0.16
3	A'	3281	3161	1.53
4	A'	1558	1502	3.01
5	A'	1505	1450	26.13
6	A'	1329	1281	12.52
7	A'	1263	1217	0.52
8	A'	1162	1120	11.84
9	A'	1038	1000	4.70
10	A'	1017	980	40.23
11	A'	997	961	16.73
12	A'	892	859	4.24
13	A'	875	843	48.89
14	A"	828	798	0.01
15	A"	810	780	35.08
16	A"	739	712	22.10
17	A"	633	610	34.31
18	A"	586	564	13.70

Atom	x (Å)	y (Å)
O1	-1.115	0.312
C2	0.000	1.154
N3	1.131	0.478
C4	0.766	-0.906
C5	-0.604	-1.006
H6	-0.162	2.224
H7	1.509	-1.694
H8	-1.316	-1.820

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3979	2.2528	2.2418	1.4141	2.1364	3.3036	2.1413
C2	1.3979		1.3181	2.1987	2.2438	1.0817	3.2239	3.2528
N3	2.2528	1.3181		1.4315	2.2835	2.1729	2.2050	3.3573
C4	2.2418	2.1987	1.4315		1.3742	3.2652	1.0829	2.2745
C5	1.4141	2.2438	2.2835	1.3742		3.2604	2.2223	1.0814
H6	2.1364	1.0817	2.1729	3.2652	3.2604		4.2599	4.2054
H7	3.3036	3.2239	2.2050	1.0829	2.2223	4.2599		2.8284
H8	2.1413	3.2528	3.3573	2.2745	1.0814	4.2054	2.8284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	112.051	O1	C2	H6	118.437
O1	C5	C4	107.024	O1	C5	H8	117.588
C2	O1	C5	105.866	C2	N3	C4	106.121
N3	C2	H6	129.512	N3	C4	C5	108.939
N3	C4	H7	121.938	C4	C5	H8	135.388
C5	C4	H7	129.123

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: QCISD/6-31G

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: QCISD/6-31G

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)