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	hartrees
Energy at 0K	-245.438286
Energy at 298.15K	-245.442863
HF Energy	-244.647610
Nuclear repulsion energy	161.683064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3313	3157
2	A'	3291	3137
3	A'	3276	3122
4	A'	1576	1502
5	A'	1543	1471
6	A'	1352	1289
7	A'	1265	1205
8	A'	1168	1113
9	A'	1115	1063
10	A'	1098	1046
11	A'	1069	1019
12	A'	913	871
13	A'	903	861
14	A"	848	808
15	A"	831	792
16	A"	748	713
17	A"	651	621
18	A"	612	583

Atom	x (Å)	y (Å)
O1	-1.114	0.314
C2	0.000	1.103
N3	1.142	0.469
C4	0.761	-0.885
C5	-0.608	-0.968
H6	-0.168	2.181
H7	1.496	-1.692
H8	-1.333	-1.780

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3645	2.2615	2.2255	1.3784	2.0926	3.2914	2.1056
C2	1.3645		1.3064	2.1286	2.1578	1.0910	3.1696	3.1760
N3	2.2615	1.3064		1.4071	2.2644	2.1555	2.1896	3.3447
C4	2.2255	2.1286	1.4071		1.3708	3.2036	1.0911	2.2772
C5	1.3784	2.1578	2.2644	1.3708		3.1792	2.2243	1.0891
H6	2.0926	1.0910	2.1555	3.2036	3.1792		4.2147	4.1286
H7	3.2914	3.1696	2.1896	1.0911	2.2243	4.2147		2.8304
H8	2.1056	3.1760	3.3447	2.2772	1.0891	4.1286	2.8304

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.692	O1	C2	H6	116.461
O1	C5	C4	108.093	O1	C5	H8	116.662
C2	O1	C5	103.751	C2	N3	C4	103.274
N3	C2	H6	127.848	N3	C4	C5	109.191
N3	C4	H7	121.923	C4	C5	H8	135.246
C5	C4	H7	128.886

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: QCISD(T)/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: QCISD(T)/cc-pVDZ

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)