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	hartrees
Energy at 0K	-245.473987
Energy at 298.15K	-245.478647
HF Energy	-244.689455
Nuclear repulsion energy	163.415306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3334	3184	0.85
2	A'	3310	3161	0.23
3	A'	3299	3151	2.36
4	A'	1627	1554	18.52
5	A'	1576	1505	26.90
6	A'	1394	1331	2.57
7	A'	1297	1239	0.32
8	A'	1225	1170	42.87
9	A'	1146	1094	12.43
10	A'	1132	1081	5.39
11	A'	1107	1058	38.12
12	A'	944	901	19.11
13	A'	928	886	13.54
14	A"	883	843	3.71
15	A"	862	823	18.38
16	A"	782	747	31.22
17	A"	664	635	28.31
18	A"	623	595	5.04

Atom	x (Å)	y (Å)
O1	-1.102	0.310
C2	0.000	1.092
N3	1.128	0.465
C4	0.753	-0.877
C5	-0.600	-0.958
H6	-0.169	2.158
H7	1.483	-1.671
H8	-1.318	-1.762

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3512	2.2354	2.2019	1.3640	2.0702	3.2570	2.0827
C2	1.3512		1.2904	2.1075	2.1361	1.0792	3.1362	3.1430
N3	2.2354	1.2904		1.3932	2.2388	2.1321	2.1661	3.3077
C4	2.2019	2.1075	1.3932		1.3553	3.1711	1.0794	2.2520
C5	1.3640	2.1361	2.2388	1.3553		3.1457	2.2016	1.0774
H6	2.0702	1.0792	2.1321	3.1711	3.1457		4.1703	4.0843
H7	3.2570	3.1362	2.1661	1.0794	2.2016	4.1703		2.8023
H8	2.0827	3.1430	3.3077	2.2520	1.0774	4.0843	2.8023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.591	O1	C2	H6	116.369
O1	C5	C4	108.142	O1	C5	H8	116.610
C2	O1	C5	103.758	C2	N3	C4	103.434
N3	C2	H6	128.040	N3	C4	C5	109.075
N3	C4	H7	121.822	C4	C5	H8	135.248
C5	C4	H7	129.103

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CCD/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: CCD/6-311G**

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)