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	hartrees
Energy at 0K	-245.385146
Energy at 298.15K	-245.389788
HF Energy	-244.636264
Nuclear repulsion energy	163.170187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3388	3176	0.81
2	A'	3364	3154	0.42
3	A'	3353	3144	2.28
4	A'	1652	1549	13.28
5	A'	1604	1503	30.53
6	A'	1417	1328	3.76
7	A'	1320	1238	0.06
8	A'	1236	1159	42.13
9	A'	1157	1085	9.67
10	A'	1145	1074	4.83
11	A'	1112	1043	39.31
12	A'	941	882	15.98
13	A'	927	869	17.54
14	A"	873	818	1.60
15	A"	853	800	20.90
16	A"	774	726	22.67
17	A"	666	624	28.38
18	A"	621	582	3.83

Atom	x (Å)	y (Å)
O1	-1.104	0.309
C2	0.000	1.096
N3	1.129	0.466
C4	0.753	-0.876
C5	-0.598	-0.963
H6	-0.167	2.158
H7	1.480	-1.668
H8	-1.310	-1.766

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3561	2.2387	2.2035	1.3690	2.0727	3.2540	2.0849
C2	1.3561		1.2928	2.1114	2.1440	1.0747	3.1352	3.1472
N3	2.2387	1.2928		1.3939	2.2412	2.1312	2.1623	3.3055
C4	2.2035	2.1114	1.3939		1.3537	3.1706	1.0747	2.2463
C5	1.3690	2.1440	2.2412	1.3537		3.1502	2.1945	1.0730
H6	2.0727	1.0747	2.1312	3.1706	3.1502		4.1651	4.0864
H7	3.2540	3.1352	2.1623	1.0747	2.1945	4.1651		2.7919
H8	2.0849	3.1472	3.3055	2.2463	1.0730	4.0864	2.7919

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.352	O1	C2	H6	116.527
O1	C5	C4	108.053	O1	C5	H8	116.722
C2	O1	C5	103.762	C2	N3	C4	103.533
N3	C2	H6	128.120	N3	C4	C5	109.299
N3	C4	H7	121.769	C4	C5	H8	135.225
C5	C4	H7	128.932

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CCD/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)