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	hartrees
Energy at 0K	-245.622143
Energy at 298.15K	-245.626837
HF Energy	-244.720310
Nuclear repulsion energy	163.873135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3339	3117	0.57
2	A'	3313	3093	0.20
3	A'	3305	3086	2.26
4	A'	1631	1523	15.55
5	A'	1584	1479	27.87
6	A'	1398	1305	3.57
7	A'	1306	1219	0.10
8	A'	1222	1141	40.73
9	A'	1145	1069	10.28
10	A'	1134	1059	8.32
11	A'	1105	1032	35.56
12	A'	944	882	16.10
13	A'	930	868	17.33
14	A"	910	850	0.37
15	A"	886	828	18.00
16	A"	797	744	36.04
17	A"	672	627	26.46
18	A"	634	592	6.09

Atom	x (Å)	y (Å)
O1	-1.099	0.309
C2	0.000	1.091
N3	1.123	0.464
C4	0.750	-0.875
C5	-0.595	-0.957
H6	-0.166	2.152
H7	1.475	-1.666
H8	-1.307	-1.759

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3485	2.2277	2.1952	1.3629	2.0654	3.2447	2.0790
C2	1.3485		1.2861	2.1033	2.1327	1.0739	3.1265	3.1353
N3	2.2277	1.2861		1.3899	2.2305	2.1233	2.1592	3.2939
C4	2.1952	2.1033	1.3899		1.3478	3.1616	1.0737	2.2389
C5	1.3629	2.1327	2.2305	1.3478		3.1385	2.1886	1.0720
H6	2.0654	1.0739	2.1233	3.1616	3.1385		4.1554	4.0741
H7	3.2447	3.1265	2.1592	1.0737	2.1886	4.1554		2.7835
H8	2.0790	3.1353	3.2939	2.2389	1.0720	4.0741	2.7835

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.445	O1	C2	H6	116.540
O1	C5	C4	108.157	O1	C5	H8	116.750
C2	O1	C5	103.732	C2	N3	C4	103.554
N3	C2	H6	128.015	N3	C4	C5	109.111
N3	C4	H7	121.911	C4	C5	H8	135.092
C5	C4	H7	128.978

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CCD/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: CCD/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)