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	hartrees
Energy at 0K	-245.360971
Energy at 298.15K	-245.365586
HF Energy	-244.630139
Nuclear repulsion energy	163.036769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3343	3164	0.62
2	A'	3322	3144	0.35
3	A'	3308	3131	2.15
4	A'	1647	1559	14.61
5	A'	1597	1511	28.53
6	A'	1407	1332	3.90
7	A'	1309	1239	0.03
8	A'	1233	1167	45.32
9	A'	1153	1092	8.43
10	A'	1143	1082	6.00
11	A'	1109	1049	40.55
12	A'	941	890	15.89
13	A'	927	877	19.58
14	A"	859	813	3.84
15	A"	840	795	21.77
16	A"	763	722	23.47
17	A"	665	630	30.91
18	A"	620	587	4.56

Atom	x (Å)	y (Å)
O1	-1.104	0.309
C2	0.000	1.097
N3	1.128	0.466
C4	0.753	-0.877
C5	-0.598	-0.963
H6	-0.168	2.165
H7	1.487	-1.672
H8	-1.316	-1.769

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3564	2.2380	2.2040	1.3697	2.0787	3.2617	2.0896
C2	1.3564		1.2930	2.1132	2.1457	1.0814	3.1430	3.1544
N3	2.2380	1.2930		1.3946	2.2414	2.1377	2.1676	3.3126
C4	2.2040	2.1132	1.3946		1.3538	3.1792	1.0816	2.2535
C5	1.3697	2.1457	2.2414	1.3538		3.1583	2.2020	1.0796
H6	2.0787	1.0814	2.1377	3.1792	3.1583		4.1791	4.0989
H7	3.2617	3.1430	2.1676	1.0816	2.2020	4.1791		2.8050
H8	2.0896	3.1544	3.3126	2.2535	1.0796	4.0989	2.8050

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.265	O1	C2	H6	116.556
O1	C5	C4	108.036	O1	C5	H8	116.606
C2	O1	C5	103.824	C2	N3	C4	103.614
N3	C2	H6	128.180	N3	C4	C5	109.261
N3	C4	H7	121.658	C4	C5	H8	135.358
C5	C4	H7	129.080

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)