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	hartrees
Energy at 0K	-245.333876
Energy at 298.15K	-245.338625
HF Energy	-244.685098
Nuclear repulsion energy	164.645316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3416	3174	1.13
2	A'	3391	3151	0.51
3	A'	3379	3140	3.14
4	A'	1691	1571	24.61
5	A'	1636	1520	28.64
6	A'	1444	1341	5.30
7	A'	1341	1246	0.22
8	A'	1260	1170	41.00
9	A'	1187	1103	12.62
10	A'	1167	1084	8.57
11	A'	1138	1058	44.38
12	A'	978	909	17.95
13	A'	960	892	17.94
14	A"	935	869	3.80
15	A"	912	848	15.22
16	A"	817	759	39.79
17	A"	689	640	33.04
18	A"	651	605	7.96

Atom	x (Å)	y (Å)
O1	-1.090	0.307
C2	0.000	1.085
N3	1.116	0.464
C4	0.745	-0.871
C5	-0.593	-0.954
H6	-0.167	2.145
H7	1.472	-1.659
H8	-1.307	-1.752

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3390	2.2112	2.1804	1.3558	2.0557	3.2297	2.0710
C2	1.3390		1.2774	2.0931	2.1239	1.0724	3.1144	3.1239
N3	2.2112	1.2774		1.3849	2.2203	2.1149	2.1524	3.2828
C4	2.1804	2.0931	1.3849		1.3406	3.1503	1.0726	2.2327
C5	1.3558	2.1239	2.2203	1.3406		3.1277	2.1822	1.0705
H6	2.0557	1.0724	2.1149	3.1503	3.1277		4.1421	4.0598
H7	3.2297	3.1144	2.1524	1.0726	2.1822	4.1421		2.7801
H8	2.0710	3.1239	3.2828	2.2327	1.0705	4.0598	2.7801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.351	O1	C2	H6	116.533
O1	C5	C4	107.931	O1	C5	H8	116.713
C2	O1	C5	104.025	C2	N3	C4	103.595
N3	C2	H6	128.117	N3	C4	C5	109.098
N3	C4	H7	121.783	C4	C5	H8	135.357
C5	C4	H7	129.119

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CID/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: CID/6-311G*

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)