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	hartrees
Energy at 0K	-245.396912
Energy at 298.15K	-245.401529
HF Energy	-244.643655
Nuclear repulsion energy	163.092970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3405	3168	0.58
2	A'	3386	3151	0.25
3	A'	3373	3138	2.31
4	A'	1645	1530	16.17
5	A'	1594	1484	37.18
6	A'	1412	1314	3.23
7	A'	1319	1227	0.10
8	A'	1229	1144	41.20
9	A'	1153	1073	9.14
10	A'	1142	1062	5.04
11	A'	1108	1031	46.41
12	A'	943	877	17.03
13	A'	929	864	14.87
14	A"	861	801	8.17
15	A"	835	777	31.55
16	A"	756	704	28.73
17	A"	656	610	31.61
18	A"	607	565	3.25

Atom	x (Å)	y (Å)
O1	-1.102	0.310
C2	0.000	1.100
N3	1.128	0.465
C4	0.753	-0.879
C5	-0.600	-0.965
H6	-0.165	2.160
H7	1.480	-1.669
H8	-1.311	-1.766

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3561	2.2352	2.2038	1.3702	2.0741	3.2532	2.0866
C2	1.3561		1.2939	2.1176	2.1501	1.0732	3.1397	3.1519
N3	2.2352	1.2939		1.3955	2.2424	2.1317	2.1633	3.3057
C4	2.2038	2.1176	1.3955		1.3557	3.1752	1.0732	2.2472
C5	1.3702	2.1501	2.2424	1.3557		3.1552	2.1954	1.0718
H6	2.0741	1.0732	2.1317	3.1752	3.1552		4.1678	4.0904
H7	3.2532	3.1397	2.1633	1.0732	2.1954	4.1678		2.7928
H8	2.0866	3.1519	3.3057	2.2472	1.0718	4.0904	2.7928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	114.995	O1	C2	H6	116.777
O1	C5	C4	107.892	O1	C5	H8	116.872
C2	O1	C5	104.113	C2	N3	C4	103.820
N3	C2	H6	128.227	N3	C4	C5	109.179
N3	C4	H7	121.851	C4	C5	H8	135.236
C5	C4	H7	128.970

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)