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	hartrees
Energy at 0K	-245.465959
Energy at 298.15K	-245.470566
HF Energy	-244.687823
Nuclear repulsion energy	163.010412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3338	3171	0.47
2	A'	3318	3153	0.34
3	A'	3304	3139	2.06
4	A'	1554	1476	7.71
5	A'	1520	1444	28.21
6	A'	1364	1296	4.50
7	A'	1278	1215	1.14
8	A'	1198	1138	35.03
9	A'	1152	1095	6.45
10	A'	1115	1059	2.33
11	A'	1099	1045	38.71
12	A'	923	877	23.90
13	A'	912	866	7.66
14	A"	844	802	1.50
15	A"	822	781	37.86
16	A"	752	715	24.23
17	A"	664	631	24.94
18	A"	624	593	2.49

Atom	x (Å)	y (Å)
O1	-1.109	0.311
C2	0.000	1.093
N3	1.136	0.460
C4	0.758	-0.876
C5	-0.603	-0.957
H6	-0.171	2.158
H7	1.486	-1.672
H8	-1.324	-1.757

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3564	2.2495	2.2121	1.3651	2.0711	3.2660	2.0800
C2	1.3564		1.3004	2.1096	2.1367	1.0787	3.1389	3.1428
N3	2.2495	1.3004		1.3884	2.2434	2.1426	2.1604	3.3118
C4	2.2121	2.1096	1.3884		1.3637	3.1729	1.0789	2.2607
C5	1.3651	2.1367	2.2434	1.3637		3.1447	2.2087	1.0770
H6	2.0711	1.0787	2.1426	3.1729	3.1447		4.1729	4.0817
H7	3.2660	3.1389	2.1604	1.0789	2.2087	4.1729		2.8115
H8	2.0800	3.1428	3.3118	2.2607	1.0770	4.0817	2.8115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.695	O1	C2	H6	116.068
O1	C5	C4	108.319	O1	C5	H8	116.302
C2	O1	C5	103.462	C2	N3	C4	103.322
N3	C2	H6	128.237	N3	C4	C5	109.203
N3	C4	H7	121.729	C4	C5	H8	135.379
C5	C4	H7	129.068

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)