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	hartrees
Energy at 0K	-245.443698
Energy at 298.15K	-245.448283
HF Energy	-244.681510
Nuclear repulsion energy	162.988395

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3335	3169	0.65
2	A'	3317	3152	0.23
3	A'	3302	3138	2.11
4	A'	1557	1480	7.23
5	A'	1524	1449	28.14
6	A'	1367	1299	5.52
7	A'	1282	1219	1.04
8	A'	1198	1139	36.88
9	A'	1152	1095	6.86
10	A'	1119	1064	2.38
11	A'	1100	1045	41.05
12	A'	925	879	24.50
13	A'	914	869	8.63
14	A"	827	786	2.82
15	A"	811	771	43.00
16	A"	736	700	25.69
17	A"	665	632	26.72
18	A"	626	595	2.98

Atom	x (Å)	y (Å)
O1	-1.107	0.312
N2	1.135	0.460
C3	0.757	-0.878
H4	1.488	-1.673
C5	0.000	1.095
H6	-0.171	2.161
C7	-0.603	-0.958
H8	-1.326	-1.758

	O1	N2	C3	H4	C5	H6	C7	H8
O1		2.2470	2.2118	3.2670	1.3561	2.0725	1.3662	2.0810
N2	2.2470		1.3898	2.1618	1.3002	2.1440	2.2431	3.3126
C3	2.2118	1.3898		1.0797	2.1127	3.1769	1.3631	2.2616
H4	3.2670	2.1618	1.0797		3.1420	4.1768	2.2098	2.8149
C5	1.3561	1.3002	2.1127	3.1420		1.0796	2.1395	3.1454
H6	2.0725	2.1440	3.1769	4.1768	1.0796		3.1485	4.0851
C7	1.3662	2.2431	1.3631	2.2098	2.1395	3.1485		1.0778
H8	2.0810	3.3126	2.2616	2.8149	3.1454	4.0851	1.0778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	70.465	O1	C2	H6	56.268
O1	C5	C4	83.003	O1	C5	H8	29.811
C2	O1	C5	31.478	C2	N3	C4	121.682
N3	C2	H6	126.733	N3	C4	C5	14.301
N3	C4	H7	28.564	C4	C5	H8	53.193
C5	C4	H7	42.865

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)