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	hartrees
Energy at 0K	-245.856421
Energy at 298.15K	-245.861009
HF Energy	-245.600828
Nuclear repulsion energy	162.834828

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3354	3190	0.51
2	A'	3336	3172	0.91
3	A'	3318	3156	2.55
4	A'	1581	1503	9.99
5	A'	1538	1463	35.85
6	A'	1372	1304	4.20
7	A'	1287	1224	0.23
8	A'	1178	1121	26.38
9	A'	1133	1077	8.97
10	A'	1109	1055	7.87
11	A'	1078	1025	43.18
12	A'	922	877	20.50
13	A'	914	869	13.64
14	A"	858	816	3.01
15	A"	830	789	34.93
16	A"	750	713	33.31
17	A"	658	625	28.16
18	A"	616	586	4.19

Atom	x (Å)	y (Å)
O1	-1.105	0.310
C2	0.000	1.104
N3	1.128	0.463
C4	0.756	-0.879
C5	-0.600	-0.967
H6	-0.168	2.167
H7	1.486	-1.669
H8	-1.315	-1.769

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3601	2.2379	2.2076	1.3731	2.0798	3.2604	2.0897
C2	1.3601		1.2972	2.1214	2.1556	1.0764	3.1462	3.1593
N3	2.2379	1.2972		1.3925	2.2428	2.1406	2.1625	3.3092
C4	2.2076	2.1214	1.3925		1.3581	3.1825	1.0766	2.2538
C5	1.3731	2.1556	2.2428	1.3581		3.1634	2.2009	1.0747
H6	2.0798	1.0764	2.1406	3.1825	3.1634		4.1777	4.0997
H7	3.2604	3.1462	2.1625	1.0766	2.2009	4.1777		2.8027
H8	2.0897	3.1593	3.3092	2.2538	1.0747	4.0997	2.8027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	114.719	O1	C2	H6	116.728
O1	C5	C4	107.851	O1	C5	H8	116.708
C2	O1	C5	104.119	C2	N3	C4	104.072
N3	C2	H6	128.553	N3	C4	C5	109.239
N3	C4	H7	121.757	C4	C5	H8	135.442
C5	C4	H7	129.003

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: B2PLYP=FULL/6-31+G**

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: B2PLYP=FULL/6-31+G**

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)