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	hartrees
Energy at 0K	-245.461419
Energy at 298.15K	-245.466031
HF Energy	-244.682444
Nuclear repulsion energy	163.021845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3307	3166	1.17
2	A'	3286	3146	0.52
3	A'	3271	3132	2.75
4	A'	1612	1544	16.86
5	A'	1572	1505	26.24
6	A'	1380	1322	4.91
7	A'	1290	1235	0.29
8	A'	1198	1147	38.55
9	A'	1132	1084	12.81
10	A'	1122	1074	5.52
11	A'	1090	1044	40.18
12	A'	935	895	20.25
13	A'	922	883	14.48
14	A"	865	828	7.31
15	A"	845	809	19.87
16	A"	758	725	32.81
17	A"	658	630	30.44
18	A"	618	592	5.85

Atom	x (Å)	y (Å)
O1	-1.106	0.310
C2	0.000	1.094
N3	1.130	0.467
C4	0.755	-0.878
C5	-0.599	-0.962
H6	-0.169	2.162
H7	1.488	-1.672
H8	-1.319	-1.766

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3553	2.2420	2.2077	1.3695	2.0746	3.2654	2.0877
C2	1.3553		1.2925	2.1108	2.1410	1.0813	3.1411	3.1495
N3	2.2420	1.2925		1.3962	2.2435	2.1357	2.1693	3.3147
C4	2.2077	2.1108	1.3962		1.3565	3.1766	1.0816	2.2560
C5	1.3695	2.1410	2.2435	1.3565		3.1528	2.2051	1.0795
H6	2.0746	1.0813	2.1357	3.1766	3.1528		4.1771	4.0927
H7	3.2654	3.1411	2.1693	1.0816	2.2051	4.1771		2.8087
H8	2.0877	3.1495	3.3147	2.2560	1.0795	4.0927	2.8087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.698	O1	C2	H6	116.289
O1	C5	C4	108.164	O1	C5	H8	116.467
C2	O1	C5	103.580	C2	N3	C4	103.389
N3	C2	H6	128.013	N3	C4	C5	109.169
N3	C4	H7	121.687	C4	C5	H8	135.369
C5	C4	H7	129.145

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: QCISD/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)