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	hartrees
Energy at 0K	-245.491955
Energy at 298.15K	-245.496536
HF Energy	-244.710101
Nuclear repulsion energy	163.755242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3375	3156	0.59
2	A'	3350	3133	0.20
3	A'	3342	3126	2.39
4	A'	1636	1530	17.03
5	A'	1588	1485	32.44
6	A'	1405	1314	3.70
7	A'	1323	1237	0.23
8	A'	1227	1147	40.18
9	A'	1151	1076	7.96
10	A'	1136	1062	12.80
11	A'	1113	1040	40.45
12	A'	957	895	15.99
13	A'	936	876	16.17
14	A"	831	777	28.92
15	A"	789	738	14.92
16	A"	721	675	12.60
17	A"	649	607	33.66
18	A"	589	551	1.10

Atom	x (Å)	y (Å)
O1	-1.098	0.308
C2	0.000	1.093
N3	1.123	0.466
C4	0.750	-0.875
C5	-0.596	-0.960
H6	-0.166	2.154
H7	1.477	-1.664
H8	-1.308	-1.762

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3501	2.2264	2.1942	1.3640	2.0677	3.2437	2.0802
C2	1.3501		1.2863	2.1064	2.1385	1.0733	3.1283	3.1403
N3	2.2264	1.2863		1.3916	2.2334	2.1239	2.1590	3.2967
C4	2.1942	2.1064	1.3916		1.3487	3.1642	1.0732	2.2405
C5	1.3640	2.1385	2.2334	1.3487		3.1436	2.1896	1.0717
H6	2.0677	1.0733	2.1239	3.1642	3.1436		4.1565	4.0784
H7	3.2437	3.1283	2.1590	1.0732	2.1896	4.1565		2.7867
H8	2.0802	3.1403	3.2967	2.2405	1.0717	4.0784	2.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.217	O1	C2	H6	116.672
O1	C5	C4	107.967	O1	C5	H8	116.802
C2	O1	C5	103.980	C2	N3	C4	103.665
N3	C2	H6	128.111	N3	C4	C5	109.170
N3	C4	H7	121.783	C4	C5	H8	135.231
C5	C4	H7	129.047

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP3/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/TZVP

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)