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	hartrees
Energy at 0K	-245.441987
Energy at 298.15K	-245.446613
HF Energy	-244.663252
Nuclear repulsion energy	162.202244

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3333	3214	0.59
2	A'	3311	3194	0.21
3	A'	3299	3182	2.17
4	A'	1610	1552	11.86
5	A'	1563	1508	34.43
6	A'	1375	1326	2.51
7	A'	1278	1233	0.10
8	A'	1192	1150	40.47
9	A'	1125	1085	12.75
10	A'	1115	1076	2.54
11	A'	1080	1042	39.89
12	A'	926	894	19.87
13	A'	914	882	12.84
14	A"	873	842	1.03
15	A"	852	822	23.19
16	A"	767	739	34.86
17	A"	658	634	26.37
18	A"	613	592	4.70

Atom	x (Å)	y (Å)
O1	-1.107	0.313
C2	0.000	1.105
N3	1.133	0.467
C4	0.759	-0.885
C5	-0.605	-0.967
H6	-0.167	2.179
H7	1.494	-1.688
H8	-1.326	-1.779

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3612	2.2455	2.2180	1.3756	2.0899	3.2814	2.1039
C2	1.3612		1.3004	2.1297	2.1585	1.0874	3.1668	3.1745
N3	2.2455	1.3004		1.4022	2.2527	2.1500	2.1842	3.3305
C4	2.2180	2.1297	1.4022		1.3663	3.2012	1.0879	2.2693
C5	1.3756	2.1585	2.2527	1.3663		3.1770	2.2184	1.0864
H6	2.0899	1.0874	2.1500	3.2012	3.1770		4.2083	4.1251
H7	3.2814	3.1668	2.1842	1.0879	2.2184	4.2083		2.8214
H8	2.1039	3.1745	3.3305	2.2693	1.0864	4.1251	2.8214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.041	O1	C2	H6	116.753
O1	C5	C4	107.981	O1	C5	H8	116.934
C2	O1	C5	104.128	C2	N3	C4	103.940
N3	C2	H6	128.206	N3	C4	C5	108.909
N3	C4	H7	122.090	C4	C5	H8	135.085
C5	C4	H7	129.001

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CCD/aug-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: CCD/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)