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	hartrees
Energy at 0K	-243.756411
Energy at 298.15K	-243.760950
HF Energy	-243.243780
Nuclear repulsion energy	158.901905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3362	3210	0.09
2	A'	3347	3196	0.15
3	A'	3330	3180	0.58
4	A'	1497	1429	2.86
5	A'	1436	1371	5.11
6	A'	1313	1253	22.99
7	A'	1288	1230	3.49
8	A'	1168	1115	11.57
9	A'	1042	995	23.06
10	A'	1027	981	6.40
11	A'	987	943	21.21
12	A'	887	847	6.87
13	A'	875	836	34.41
14	A"	865	826	0.01
15	A"	838	800	40.59
16	A"	775	740	37.33
17	A"	657	627	19.03
18	A"	617	589	14.14

Atom	x (Å)	y (Å)
O1	-1.122	0.312
C2	0.000	1.152
N3	1.136	0.476
C4	0.768	-0.906
C5	-0.602	-1.003
H6	-0.167	2.213
H7	1.501	-1.693
H8	-1.306	-1.813

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.4014	2.2639	2.2490	1.4142	2.1274	3.3016	2.1332
C2	1.4014		1.3211	2.1961	2.2365	1.0744	3.2159	3.2394
N3	2.2639	1.3211		1.4303	2.2815	2.1706	2.1997	3.3472
C4	2.2490	2.1961	1.4303		1.3732	3.2559	1.0750	2.2641
C5	1.4142	2.2365	2.2815	1.3732		3.2448	2.2127	1.0739
H6	2.1274	1.0744	2.1706	3.2559	3.2448		4.2467	4.1840
H7	3.3016	3.2159	2.1997	1.0750	2.2127	4.2467		2.8096
H8	2.1332	3.2394	3.3472	2.2641	1.0739	4.1840	2.8096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	112.484	O1	C2	H6	117.863
O1	C5	C4	107.569	O1	C5	H8	117.384
C2	O1	C5	105.182	C2	N3	C4	105.846
N3	C2	H6	129.653	N3	C4	C5	108.920
N3	C4	H7	122.166	C4	C5	H8	135.047
C5	C4	H7	128.914

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2=FULL/3-21G

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: MP2=FULL/3-21G

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)