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	hartrees
Energy at 0K	-245.695295
Energy at 298.15K	-245.699964
HF Energy	-244.719521
Nuclear repulsion energy	163.872820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3355	3186	0.34
2	A'	3335	3167	0.84
3	A'	3320	3152	2.20
4	A'	1569	1489	5.77
5	A'	1532	1454	28.57
6	A'	1373	1304	5.10
7	A'	1295	1229	0.74
8	A'	1202	1141	31.71
9	A'	1157	1098	5.97
10	A'	1123	1067	3.60
11	A'	1102	1047	37.33
12	A'	926	879	19.86
13	A'	916	870	12.25
14	A"	894	849	1.59
15	A"	855	811	27.32
16	A"	785	745	32.79
17	A"	676	642	23.12
18	A"	641	609	3.50

Atom	x (Å)	y (Å)
O1	-1.104	0.310
C2	0.000	1.090
N3	1.128	0.458
C4	0.753	-0.871
C5	-0.598	-0.954
H6	-0.167	2.146
H7	1.474	-1.661
H8	-1.308	-1.751

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3516	2.2365	2.2004	1.3614	2.0616	3.2444	2.0712
C2	1.3516		1.2934	2.1012	2.1299	1.0693	3.1212	3.1280
N3	2.2365	1.2934		1.3810	2.2296	2.1283	2.1468	3.2882
C4	2.2004	2.1012	1.3810		1.3531	3.1550	1.0692	2.2407
C5	1.3614	2.1299	2.2296	1.3531		3.1303	2.1886	1.0676
H6	2.0616	1.0693	2.1283	3.1550	3.1303		4.1461	4.0612
H7	3.2444	3.1212	2.1468	1.0692	2.1886	4.1461		2.7828
H8	2.0712	3.1280	3.2882	2.2407	1.0676	4.0612	2.7828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.446	O1	C2	H6	116.279
O1	C5	C4	108.311	O1	C5	H8	116.491
C2	O1	C5	103.455	C2	N3	C4	103.521
N3	C2	H6	128.275	N3	C4	C5	109.267
N3	C4	H7	121.858	C4	C5	H8	135.197
C5	C4	H7	128.875

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP2=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)