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	hartrees
Energy at 0K	-243.756411
Energy at 298.15K	-243.760941
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	3187	0.09
2	A'	3347	3173	0.15
3	A'	3330	3157	0.58
4	A'	1497	1419	2.86
5	A'	1436	1362	5.11
6	A'	1313	1245	22.99
7	A'	1288	1221	3.49
8	A'	1168	1107	11.57
9	A'	1042	988	23.06
10	A'	1027	974	6.40
11	A'	987	936	21.21
12	A'	887	840	6.87
13	A'	875	830	34.41
14	A"	865	820	0.01
15	A"	838	794	40.59
16	A"	775	735	37.33
17	A"	657	623	19.03
18	A"	617	585	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)