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	hartrees
Energy at 0K	-243.693977
Energy at 298.15K	-243.698657
HF Energy	-243.249004
Nuclear repulsion energy	160.717369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3415	3214	0.21
2	A'	3395	3196	0.02
3	A'	3380	3182	1.27
4	A'	1600	1506	4.38
5	A'	1551	1460	21.78
6	A'	1385	1303	14.55
7	A'	1323	1246	0.05
8	A'	1205	1134	11.77
9	A'	1088	1025	28.80
10	A'	1062	1000	13.26
11	A'	1038	977	16.13
12	A'	938	883	4.83
13	A'	923	869	45.09
14	A"	951	895	0.12
15	A"	915	861	20.48
16	A"	834	785	44.83
17	A"	678	638	25.31
18	A"	633	596	21.07

Atom	x (Å)	y (Å)
O1	0.000	1.145
C2	1.106	0.309
N3	0.760	-0.946
C4	-0.664	-0.972
C5	-1.123	0.303
H6	2.080	0.752
H7	-1.220	-1.888
H8	-2.090	0.760

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3861	2.2253	2.2194	1.4039	2.1168	3.2689	2.1254
C2	1.3861		1.3023	2.1851	2.2287	1.0700	3.1989	3.2273
N3	2.2253	1.3023		1.4242	2.2597	2.1506	2.1919	3.3215
C4	2.2194	2.1851	1.4242		1.3554	3.2406	1.0706	2.2435
C5	1.4039	2.2287	2.2597	1.3554		3.2343	2.1927	1.0694
H6	2.1168	1.0700	2.1506	3.2406	3.2343		4.2252	4.1700
H7	3.2689	3.1989	2.1919	1.0706	2.1927	4.2252		2.7867
H8	2.1254	3.2273	3.3215	2.2435	1.0694	4.1700	2.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	111.698	O1	C2	H6	118.492
O1	C5	C4	107.076	O1	C5	H8	117.846
C2	O1	C5	106.036	C2	N3	C4	106.448
N3	C2	H6	129.810	N3	C4	C5	108.742
N3	C4	H7	122.308	C4	C5	H8	135.078
C5	C4	H7	128.950

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CISD/3-21G

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: CISD/3-21G

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)