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	hartrees
Energy at 0K	-245.408537
Energy at 298.15K	-245.413170
HF Energy	-244.649394
Nuclear repulsion energy	162.248792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3332	3197	0.65
2	A'	3310	3175	0.20
3	A'	3295	3162	2.41
4	A'	1615	1549	13.27
5	A'	1577	1513	27.01
6	A'	1377	1321	4.17
7	A'	1281	1229	0.17
8	A'	1191	1143	34.98
9	A'	1131	1085	10.89
10	A'	1115	1070	4.93
11	A'	1083	1039	35.44
12	A'	928	890	19.34
13	A'	916	879	14.10
14	A"	880	844	1.90
15	A"	860	825	18.05
16	A"	773	741	29.50
17	A"	660	633	25.27
18	A"	621	596	5.35

Atom	x (Å)	y (Å)
O1	-1.112	0.313
C2	0.000	1.096
N3	1.138	0.468
C4	0.759	-0.881
C5	-0.604	-0.964
H6	-0.169	2.173
H7	1.496	-1.685
H8	-1.328	-1.776

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3603	2.2553	2.2194	1.3735	2.0856	3.2847	2.1002
C2	1.3603		1.3001	2.1178	2.1469	1.0899	3.1579	3.1650
N3	2.2553	1.3001		1.4006	2.2553	2.1486	2.1823	3.3347
C4	2.2194	2.1178	1.4006		1.3665	3.1917	1.0904	2.2718
C5	1.3735	2.1469	2.2553	1.3665		3.1669	2.2205	1.0883
H6	2.0856	1.0899	2.1486	3.1917	3.1669		4.2019	4.1160
H7	3.2847	3.1579	2.1823	1.0904	2.2205	4.2019		2.8255
H8	2.1002	3.1650	3.3347	2.2718	1.0883	4.1160	2.8255

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.917	O1	C2	H6	116.247
O1	C5	C4	108.190	O1	C5	H8	116.631
C2	O1	C5	103.499	C2	N3	C4	103.222
N3	C2	H6	127.836	N3	C4	C5	109.172
N3	C4	H7	121.848	C4	C5	H8	135.179
C5	C4	H7	128.980

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: QCISD/cc-pVDZ

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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)