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	hartrees
Energy at 0K	-245.675959
Energy at 298.15K	-245.680573
HF Energy	-244.718262
Nuclear repulsion energy	162.913973

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3310	3226
2	A'	3286	3203
3	A'	3276	3193
4	A'	1576	1536
5	A'	1540	1502
6	A'	1358	1324
7	A'	1279	1247
8	A'	1177	1148
9	A'	1112	1084
10	A'	1108	1080
11	A'	1074	1047
12	A'	919	896
13	A'	909	886
14	A"	872	850
15	A"	851	830
16	A"	763	744
17	A"	656	639
18	A"	618	602

Atom	x (Å)	y (Å)
O1	-1.106	0.312
C2	0.000	1.098
N3	1.130	0.467
C4	0.754	-0.881
C5	-0.599	-0.964
H6	-0.165	2.162
H7	1.481	-1.675
H8	-1.312	-1.768

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3568	2.2414	2.2092	1.3725	2.0759	3.2612	2.0902
C2	1.3568		1.2950	2.1182	2.1475	1.0766	3.1437	3.1524
N3	2.2414	1.2950		1.3994	2.2445	2.1338	2.1698	3.3104
C4	2.2092	2.1182	1.3994		1.3555	3.1791	1.0761	2.2480
C5	1.3725	2.1475	2.2445	1.3555		3.1562	2.1980	1.0746
H6	2.0759	1.0766	2.1338	3.1791	3.1562		4.1750	4.0944
H7	3.2612	3.1437	2.1698	1.0761	2.1980	4.1750		2.7940
H8	2.0902	3.1524	3.3104	2.2480	1.0746	4.0944	2.7940

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.373	O1	C2	H6	116.620
O1	C5	C4	108.157	O1	C5	H8	116.810
C2	O1	C5	103.775	C2	N3	C4	103.586
N3	C2	H6	128.007	N3	C4	C5	109.109
N3	C4	H7	121.900	C4	C5	H8	135.033
C5	C4	H7	128.990

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CCSD(T)/cc-pVTZ

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: CCSD(T)/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)