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	hartrees
Energy at 0K	-245.530620
Energy at 298.15K	-245.535278
HF Energy	-244.655552
Nuclear repulsion energy	163.434877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3349	3173	0.60
2	A'	3323	3148	0.20
3	A'	3315	3141	2.34
4	A'	1620	1535	15.55
5	A'	1582	1499	23.70
6	A'	1385	1312	5.91
7	A'	1299	1230	0.31
8	A'	1209	1145	35.09
9	A'	1134	1074	10.74
10	A'	1130	1071	8.59
11	A'	1093	1036	30.96
12	A'	936	887	15.19
13	A'	921	873	18.53
14	A"	896	849	2.73
15	A"	878	832	12.82
16	A"	790	748	27.04
17	A"	667	632	25.45
18	A"	627	594	4.29

Atom	x (Å)	y (Å)
O1	-1.104	0.310
C2	0.000	1.090
N3	1.129	0.466
C4	0.752	-0.876
C5	-0.596	-0.959
H6	-0.170	2.153
H7	1.480	-1.668
H8	-1.314	-1.759

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3514	2.2383	2.2024	1.3667	2.0659	3.2546	2.0797
C2	1.3514		1.2900	2.1045	2.1336	1.0766	3.1303	3.1369
N3	2.2383	1.2900		1.3936	2.2374	2.1291	2.1629	3.3038
C4	2.2024	2.1045	1.3936		1.3507	3.1658	1.0764	2.2463
C5	1.3667	2.1336	2.2374	1.3507		3.1407	2.1944	1.0745
H6	2.0659	1.0766	2.1291	3.1658	3.1407		4.1623	4.0755
H7	3.2546	3.1303	2.1629	1.0764	2.1944	4.1623		2.7952
H8	2.0797	3.1369	3.3038	2.2463	1.0745	4.0755	2.7952

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.842	O1	C2	H6	116.156
O1	C5	C4	108.277	O1	C5	H8	116.327
C2	O1	C5	103.430	C2	N3	C4	103.226
N3	C2	H6	128.003	N3	C4	C5	109.225
N3	C4	H7	121.718	C4	C5	H8	135.395
C5	C4	H7	129.057

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: QCISD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)