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	hartrees
Energy at 0K	-245.524013
Energy at 298.15K	-245.528567
HF Energy	-244.686346
Nuclear repulsion energy	162.248393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3307	3207
2	A'	3283	3184
3	A'	3270	3171
4	A'	1546	1500
5	A'	1514	1468
6	A'	1342	1301
7	A'	1265	1227
8	A'	1167	1131
9	A'	1117	1083
10	A'	1094	1061
11	A'	1072	1040
12	A'	908	881
13	A'	901	873
14	A"	827	802
15	A"	816	791
16	A"	734	712
17	A"	649	630
18	A"	608	589

Atom	x (Å)	y (Å)
O1	-1.111	0.312
C2	0.000	1.101
N3	1.138	0.466
C4	0.759	-0.882
C5	-0.604	-0.966
H6	-0.172	2.169
H7	1.492	-1.678
H8	-1.325	-1.770

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3633	2.2545	2.2187	1.3746	2.0819	3.2761	2.0921
C2	1.3633		1.3030	2.1236	2.1534	1.0819	3.1539	3.1617
N3	2.2545	1.3030		1.4007	2.2548	2.1483	2.1729	3.3261
C4	2.2187	2.1236	1.4007		1.3651	3.1902	1.0816	2.2646
C5	1.3746	2.1534	2.2548	1.3651		3.1649	2.2130	1.0797
H6	2.0819	1.0819	2.1483	3.1902	3.1649		4.1912	4.1043
H7	3.2761	3.1539	2.1729	1.0816	2.2130	4.1912		2.8179
H8	2.0921	3.1617	3.3261	2.2646	1.0797	4.1043	2.8179

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.443	O1	C2	H6	116.265
O1	C5	C4	108.158	O1	C5	H8	116.435
C2	O1	C5	103.722	C2	N3	C4	103.462
N3	C2	H6	128.292	N3	C4	C5	109.215
N3	C4	H7	121.642	C4	C5	H8	135.407
C5	C4	H7	129.144

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)