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	hartrees
Energy at 0K	-245.452580
Energy at 298.15K	-245.457154
HF Energy	-244.647306
Nuclear repulsion energy	161.664539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3323	3207
2	A'	3300	3185
3	A'	3286	3171
4	A'	1559	1504
5	A'	1528	1475
6	A'	1346	1299
7	A'	1262	1218
8	A'	1164	1124
9	A'	1123	1084
10	A'	1094	1056
11	A'	1070	1033
12	A'	908	876
13	A'	901	869
14	A"	843	813
15	A"	822	794
16	A"	746	720
17	A"	656	633
18	A"	617	596

Atom	x (Å)	y (Å)
O1	-1.115	0.314
C2	0.000	1.103
N3	1.144	0.466
C4	0.762	-0.884
C5	-0.608	-0.967
H6	-0.170	2.180
H7	1.495	-1.691
H8	-1.333	-1.778

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3663	2.2638	2.2266	1.3773	2.0919	3.2910	2.1035
C2	1.3663		1.3091	2.1284	2.1577	1.0901	3.1690	3.1751
N3	2.2638	1.3091		1.4033	2.2633	2.1594	2.1857	3.3426
C4	2.2266	2.1284	1.4033		1.3725	3.2028	1.0902	2.2779
C5	1.3773	2.1577	2.2633	1.3725		3.1773	2.2242	1.0881
H6	2.0919	1.0901	2.1594	3.2028	3.1773		4.2140	4.1258
H7	3.2910	3.1690	2.1857	1.0902	2.2242	4.2140		2.8293
H8	2.1035	3.1751	3.3426	2.2779	1.0881	4.1258	2.8293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.577	O1	C2	H6	116.324
O1	C5	C4	108.134	O1	C5	H8	116.628
C2	O1	C5	103.708	C2	N3	C4	103.334
N3	C2	H6	128.099	N3	C4	C5	109.247
N3	C4	H7	121.962	C4	C5	H8	135.238
C5	C4	H7	128.791

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: MP4=FULL/cc-pVDZ

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: MP4=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)