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	hartrees
Energy at 0K	-245.409010
Energy at 298.15K	-245.413679
HF Energy	-244.650575
Nuclear repulsion energy	162.816053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3365	3164	0.52
2	A'	3343	3144	0.11
3	A'	3330	3131	2.08
4	A'	1637	1540	17.01
5	A'	1589	1494	26.58
6	A'	1397	1314	2.13
7	A'	1295	1218	0.10
8	A'	1225	1152	37.50
9	A'	1152	1083	12.91
10	A'	1131	1063	4.64
11	A'	1105	1039	34.42
12	A'	945	889	18.29
13	A'	929	874	14.99
14	A"	887	834	1.42
15	A"	864	812	20.00
16	A"	785	738	29.56
17	A"	670	630	25.30
18	A"	631	593	5.03

Atom	x (Å)	y (Å)
O1	-1.106	0.312
C2	0.000	1.094
N3	1.135	0.466
C4	0.757	-0.879
C5	-0.605	-0.959
H6	-0.168	2.167
H7	1.490	-1.682
H8	-1.328	-1.769

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3543	2.2461	2.2114	1.3665	2.0791	3.2736	2.0929
C2	1.3543		1.2970	2.1130	2.1403	1.0868	3.1504	3.1556
N3	2.2461	1.2970		1.3968	2.2491	2.1430	2.1770	3.3255
C4	2.2114	2.1130	1.3968		1.3647	3.1838	1.0872	2.2671
C5	1.3665	2.1403	2.2491	1.3647		3.1572	2.2164	1.0853
H6	2.0791	1.0868	2.1430	3.1838	3.1572		4.1913	4.1038
H7	3.2736	3.1504	2.1770	1.0872	2.2164	4.1913		2.8193
H8	2.0929	3.1556	3.3255	2.2671	1.0853	4.1038	2.8193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.799	O1	C2	H6	116.371
O1	C5	C4	108.128	O1	C5	H8	116.745
C2	O1	C5	103.745	C2	N3	C4	103.267
N3	C2	H6	127.830	N3	C4	C5	109.060
N3	C4	H7	121.929	C4	C5	H8	135.126
C5	C4	H7	129.011

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)