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	hartrees
Energy at 0K	-245.580893
Energy at 298.15K	-245.585483
HF Energy	-244.710266
Nuclear repulsion energy	163.859777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3375	3151	0.58
2	A'	3350	3128	0.21
3	A'	3342	3120	2.40
4	A'	1637	1528	17.33
5	A'	1589	1483	32.24
6	A'	1406	1313	3.69
7	A'	1324	1236	0.22
8	A'	1229	1147	40.27
9	A'	1152	1076	7.84
10	A'	1137	1062	12.69
11	A'	1114	1040	40.62
12	A'	958	894	16.07
13	A'	937	875	16.12
14	A"	834	779	27.58
15	A"	794	741	15.35
16	A"	727	679	13.67
17	A"	651	607	33.20
18	A"	592	553	1.23

Atom	x (Å)	y (Å)
O1	-1.097	0.308
C2	0.000	1.093
N3	1.122	0.465
C4	0.749	-0.874
C5	-0.596	-0.960
H6	-0.166	2.152
H7	1.476	-1.663
H8	-1.307	-1.761

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3492	2.2250	2.1928	1.3632	2.0665	3.2417	2.0790
C2	1.3492		1.2855	2.1051	2.1371	1.0726	3.1263	3.1383
N3	2.2250	1.2855		1.3907	2.2318	2.1225	2.1577	3.2945
C4	2.1928	2.1051	1.3907		1.3477	3.1622	1.0725	2.2389
C5	1.3632	2.1371	2.2318	1.3477		3.1416	2.1881	1.0710
H6	2.0665	1.0726	2.1225	3.1622	3.1416		4.1539	4.0759
H7	3.2417	3.1263	2.1577	1.0725	2.1881	4.1539		2.7848
H8	2.0790	3.1383	3.2945	2.2389	1.0710	4.0759	2.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.214	O1	C2	H6	116.675
O1	C5	C4	107.972	O1	C5	H8	116.805
C2	O1	C5	103.977	C2	N3	C4	103.668
N3	C2	H6	128.111	N3	C4	C5	109.169
N3	C4	H7	121.781	C4	C5	H8	135.224
C5	C4	H7	129.050

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP3=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)