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	hartrees
Energy at 0K	-245.629704
Energy at 298.15K	-245.634381
HF Energy	-244.719971
Nuclear repulsion energy	163.643946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3334	3138	0.57
2	A'	3309	3114	0.23
3	A'	3300	3106	2.34
4	A'	1621	1525	14.17
5	A'	1580	1487	28.03
6	A'	1389	1308	4.94
7	A'	1301	1225	0.13
8	A'	1206	1135	35.86
9	A'	1136	1069	12.62
10	A'	1128	1061	7.53
11	A'	1094	1030	34.71
12	A'	938	883	15.90
13	A'	925	870	17.54
14	A"	906	853	0.61
15	A"	885	833	17.74
16	A"	790	744	36.34
17	A"	667	628	26.30
18	A"	629	592	6.24

Atom	x (Å)	y (Å)
O1	-1.101	0.310
C2	0.000	1.091
N3	1.125	0.465
C4	0.751	-0.875
C5	-0.595	-0.959
H6	-0.166	2.153
H7	1.477	-1.666
H8	-1.306	-1.762

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3508	2.2319	2.1987	1.3661	2.0669	3.2484	2.0815
C2	1.3508		1.2875	2.1050	2.1354	1.0741	3.1284	3.1381
N3	2.2319	1.2875		1.3918	2.2337	2.1244	2.1606	3.2973
C4	2.1987	2.1050	1.3918		1.3487	3.1634	1.0739	2.2401
C5	1.3661	2.1354	2.2337	1.3487		3.1414	2.1895	1.0722
H6	2.0669	1.0741	2.1244	3.1634	3.1414		4.1573	4.0771
H7	3.2484	3.1284	2.1606	1.0739	2.1895	4.1573		2.7849
H8	2.0815	3.1381	3.2973	2.2401	1.0722	4.0771	2.7849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.537	O1	C2	H6	116.482
O1	C5	C4	108.169	O1	C5	H8	116.707
C2	O1	C5	103.620	C2	N3	C4	103.497
N3	C2	H6	127.981	N3	C4	C5	109.178
N3	C4	H7	121.862	C4	C5	H8	135.124
C5	C4	H7	128.960

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CCSD/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/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)