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	hartrees
Energy at 0K	-245.250640
Energy at 298.15K	-245.255372
HF Energy	-244.632273
Nuclear repulsion energy	164.301078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3438	3176	0.60
2	A'	3414	3154	0.40
3	A'	3401	3141	2.70
4	A'	1707	1577	20.65
5	A'	1651	1525	30.10
6	A'	1456	1345	5.80
7	A'	1351	1248	0.04
8	A'	1270	1173	40.57
9	A'	1193	1102	11.87
10	A'	1177	1087	5.22
11	A'	1141	1054	44.22
12	A'	974	899	15.59
13	A'	957	884	21.07
14	A"	929	858	1.77
15	A"	907	838	15.81
16	A"	817	755	30.90
17	A"	689	636	33.39
18	A"	648	598	6.23

Atom	x (Å)	y (Å)
O1	-1.092	0.307
C2	0.000	1.090
N3	1.117	0.464
C4	0.745	-0.871
C5	-0.592	-0.958
H6	-0.167	2.150
H7	1.474	-1.659
H8	-1.304	-1.758

	O1	C2	N3	C4	C5	H6	H7	H8
O1		1.3437	2.2148	2.1828	1.3605	2.0618	3.2327	2.0763
C2	1.3437		1.2803	2.0978	2.1318	1.0730	3.1191	3.1325
N3	2.2148	1.2803		1.3860	2.2234	2.1191	2.1531	3.2865
C4	2.1828	2.0978	1.3860		1.3401	3.1556	1.0732	2.2332
C5	1.3605	2.1318	2.2234	1.3401		3.1368	2.1815	1.0712
H6	2.0618	1.0730	2.1191	3.1556	3.1368		4.1474	4.0701
H7	3.2327	3.1191	2.1531	1.0732	2.1815	4.1474		2.7797
H8	2.0763	3.1325	3.2865	2.2332	1.0712	4.0701	2.7797

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	N3	115.119	O1	C2	H6	116.665
O1	C5	C4	107.848	O1	C5	H8	116.764
C2	O1	C5	104.056	C2	N3	C4	103.696
N3	C2	H6	128.216	N3	C4	C5	109.282
N3	C4	H7	121.690	C4	C5	H8	135.388
C5	C4	H7	129.028

All results from a given calculation for C₃H₃NO (Oxazole)

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

All results from a given calculation for C₃H₃NO (Oxazole)