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	hartrees
Energy at 0K	-44.291992
Energy at 298.15K	-44.296508
HF Energy	-43.561722
Nuclear repulsion energy	83.631218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3327	3170	0.97
2	A'	3312	3156	0.22
3	A'	3296	3141	2.51
4	A'	1536	1464	7.21
5	A'	1503	1433	31.91
6	A'	1355	1291	5.92
7	A'	1275	1214	0.86
8	A'	1188	1132	39.18
9	A'	1133	1080	4.73
10	A'	1110	1058	2.82
11	A'	1083	1032	47.38
12	A'	906	863	25.25
13	A'	898	856	7.35
14	A"	797	760	68.39
15	A"	788	751	0.37
16	A"	706	673	19.75
17	A"	655	624	23.12
18	A"	604	575	1.68

Atom	x (Å)	y (Å)
O1	-1.117	0.313
C2	0.000	1.106
N3	1.143	0.464
C4	0.764	-0.884
C5	-0.607	-0.968
H6	-0.171	2.175
H7	1.498	-1.679
H8	-1.331	-1.770

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3697	2.2645	2.2297	1.3793	2.0880	3.2871	2.0948
C2	1.3697		1.3109	2.1317	2.1617	1.0820	3.1623	3.1697
N3	2.2645	1.3109		1.3995	2.2611	2.1571	2.1718	3.3332
C4	2.2297	2.1317	1.3995		1.3741	3.1982	1.0818	2.2752
C5	1.3793	2.1617	2.2611	1.3741		3.1732	2.2216	1.0804
H6	2.0880	1.0820	2.1571	3.1982	3.1732		4.1993	4.1122
H7	3.2871	3.1623	2.1718	1.0818	2.2216	4.1993		2.8302
H8	2.0948	3.1697	3.3332	2.2752	1.0804	4.1122	2.8302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.275	O1	C2	H6	116.287
O1	C5	C4	108.151	O1	C5	H8	116.255
C2	O1	C5	103.688	C2	N3	C4	103.667
N3	C2	H6	128.438	N3	C4	C5	109.219
N3	C4	H7	121.628	C4	C5	H8	135.595
C5	C4	H7	129.153

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2/CEP-121G*

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: MP2/CEP-121G*

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)