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	hartrees
Energy at 0K	-245.639836
Energy at 298.15K	-245.644453
HF Energy	-244.721455
Nuclear repulsion energy	163.228172

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3331	3174	0.37
2	A'	3312	3156	1.47
3	A'	3300	3144	2.46
4	A'	1546	1473	5.69
5	A'	1508	1437	33.92
6	A'	1355	1292	4.04
7	A'	1272	1212	0.77
8	A'	1186	1130	33.59
9	A'	1141	1088	6.30
10	A'	1110	1057	3.11
11	A'	1086	1035	39.53
12	A'	915	872	21.40
13	A'	905	862	9.36
14	A"	863	823	2.36
15	A"	827	788	33.82
16	A"	763	727	28.64
17	A"	665	633	23.81
18	A"	628	598	2.92

Atom	x (Å)	y (Å)
O1	-1.102	0.311
N2	1.129	0.458
C3	0.754	-0.878
H4	1.479	-1.672
C5	0.000	1.102
H6	-0.168	2.164
C7	-0.601	-0.961
H8	-1.318	-1.761

	O1	N2	C3	H4	C5	H6	C7	H8
O1		2.2351	2.2041	3.2544	1.3562	2.0751	1.3671	2.0828
N2	2.2351		1.3880	2.1590	1.2992	2.1426	2.2379	3.3031
C3	2.2041	1.3880		1.0749	2.1188	3.1790	1.3580	2.2524
H4	3.2544	2.1590	1.0749		3.1435	4.1747	2.1983	2.7986
C5	1.3562	1.2992	2.1188	3.1435		1.0754	2.1491	3.1514
H6	2.0751	2.1426	3.1790	4.1747	1.0754		3.1553	4.0897
C7	1.3671	2.2379	1.3580	2.1983	2.1491	3.1553		1.0736
H8	2.0828	3.3031	2.2524	2.7986	3.1514	4.0897	1.0736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	70.566	O1	C2	H6	56.541
O1	C5	C4	82.388	O1	C5	H8	29.595
C2	O1	C5	31.895	C2	N3	C4	121.950
N3	C2	H6	127.107	N3	C4	C5	14.334
N3	C4	H7	28.740	C4	C5	H8	52.792
C5	C4	H7	43.074

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)