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	hartrees
Energy at 0K	-243.768510
Energy at 298.15K	-243.773035
HF Energy	-243.244731
Nuclear repulsion energy	158.994882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3186	0.18
2	A'	3299	3171	0.03
3	A'	3282	3154	0.92
4	A'	1535	1475	2.53
5	A'	1486	1428	16.31
6	A'	1332	1280	16.89
7	A'	1282	1232	0.12
8	A'	1165	1120	10.15
9	A'	1034	993	26.19
10	A'	1014	975	6.81
11	A'	981	943	17.58
12	A'	888	854	0.70
13	A'	875	841	46.52
14	A"	882	847	0.63
15	A"	855	822	24.24
16	A"	780	750	38.71
17	A"	646	621	22.48
18	A"	601	578	17.87

Atom	x (Å)	y (Å)
O1	-1.118	0.311
C2	0.000	1.153
N3	1.129	0.480
C4	0.766	-0.907
C5	-0.599	-1.006
H6	-0.165	2.218
H7	1.504	-1.694
H8	-1.304	-1.820

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3994	2.2530	2.2433	1.4152	2.1317	3.3002	2.1391
C2	1.3994		1.3141	2.1976	2.2402	1.0778	3.2197	3.2465
N3	2.2530	1.3141		1.4337	2.2789	2.1667	2.2065	3.3483
C4	2.2433	2.1976	1.4337		1.3687	3.2607	1.0787	2.2629
C5	1.4152	2.2402	2.2789	1.3687		3.2528	2.2122	1.0773
H6	2.1317	1.0778	2.1667	3.2607	3.2528		4.2532	4.1956
H7	3.3002	3.2197	2.2065	1.0787	2.2122	4.2532		2.8105
H8	2.1391	3.2465	3.3483	2.2629	1.0773	4.1956	2.8105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	112.218	O1	C2	H6	118.171
O1	C5	C4	107.360	O1	C5	H8	117.595
C2	O1	C5	105.485	C2	N3	C4	106.140
N3	C2	H6	129.611	N3	C4	C5	108.798
N3	C4	H7	122.233	C4	C5	H8	135.045
C5	C4	H7	128.969

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)