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	hartrees
Energy at 0K	-245.408571
Energy at 298.15K	-245.413158
HF Energy	-244.642699
Nuclear repulsion energy	162.603747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3377	3192	0.66
2	A'	3357	3174	0.21
3	A'	3342	3159	2.48
4	A'	1625	1536	12.22
5	A'	1583	1496	38.74
6	A'	1394	1318	4.94
7	A'	1307	1235	0.12
8	A'	1202	1137	36.21
9	A'	1133	1071	17.72
10	A'	1125	1064	1.83
11	A'	1083	1024	43.67
12	A'	926	875	17.46
13	A'	916	866	15.09
14	A"	859	812	7.20
15	A"	837	791	28.52
16	A"	750	709	30.86
17	A"	647	612	31.65
18	A"	600	567	3.51

Atom	x (Å)	y (Å)
O1	-1.107	0.311
C2	0.000	1.103
N3	1.130	0.467
C4	0.755	-0.880
C5	-0.599	-0.969
H6	-0.167	2.165
H7	1.485	-1.671
H8	-1.311	-1.772

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3613	2.2428	2.2107	1.3764	2.0794	3.2624	2.0926
C2	1.3613		1.2964	2.1217	2.1559	1.0754	3.1458	3.1595
N3	2.2428	1.2964		1.3986	2.2473	2.1363	2.1673	3.3128
C4	2.2107	2.1217	1.3986		1.3570	3.1817	1.0756	2.2509
C5	1.3764	2.1559	2.2473	1.3570		3.1632	2.1986	1.0739
H6	2.0794	1.0754	2.1363	3.1817	3.1632		4.1762	4.1001
H7	3.2624	3.1458	2.1673	1.0756	2.1986	4.1762		2.7977
H8	2.0926	3.1595	3.3128	2.2509	1.0739	4.1001	2.7977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.082	O1	C2	H6	116.667
O1	C5	C4	107.947	O1	C5	H8	116.759
C2	O1	C5	103.899	C2	N3	C4	103.800
N3	C2	H6	128.252	N3	C4	C5	109.273
N3	C4	H7	121.777	C4	C5	H8	135.294
C5	C4	H7	128.950

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: QCISD/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: QCISD/6-31+G**

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)