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	hartrees
Energy at 0K	-284.097442
Energy at 298.15K	-284.103675
HF Energy	-283.485177
Nuclear repulsion energy	218.164138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3300	3158	0.07
2	A	3283	3141	1.82
3	A	3164	3027	10.12
4	A	3153	3016	10.17
5	A	3072	2939	13.25
6	A	1639	1569	19.35
7	A	1568	1500	12.49
8	A	1547	1480	8.78
9	A	1492	1428	2.63
10	A	1446	1384	17.23
11	A	1346	1288	13.17
12	A	1247	1193	11.25
13	A	1208	1155	7.97
14	A	1122	1074	2.10
15	A	1076	1030	4.15
16	A	1048	1003	2.31
17	A	943	902	7.55
18	A	916	876	6.51
19	A	828	792	22.99
20	A	782	748	12.06
21	A	752	720	27.90
22	A	647	619	0.78
23	A	618	591	2.78
24	A	598	572	0.01
25	A	333	319	2.24
26	A	237	227	2.98
27	A	96	91	0.93

Atom	x (Å)	y (Å)	z (Å)
C1	-2.146	0.016	0.000
H2	-2.504	-0.519	0.890
H3	-2.580	1.024	-0.001
H4	-2.504	-0.520	-0.889
C5	-0.651	0.119	-0.000
O6	0.057	-1.101	0.000
N7	1.508	-0.793	-0.000
C8	1.553	0.556	0.000
H9	2.525	1.035	0.000
C10	0.250	1.162	0.000
H11	0.024	2.221	-0.000

	C1	H2	H3	H4	C5	O6	N7	C8	H9	C10	H11
C1		1.0980	1.0974	1.0980	1.4986	2.4699	3.7430	3.7384	4.7809	2.6565	3.0940
H2	1.0980		1.7829	1.7787	2.1520	2.7725	4.1187	4.2901	5.3380	3.3471	3.8328
H3	1.0974	1.7829		1.7829	2.1305	3.3864	4.4741	4.1596	5.1050	2.8340	2.8663
H4	1.0980	1.7787	1.7829		2.1520	2.7722	4.1185	4.2902	5.3382	3.3474	3.8333
C5	1.4986	2.1520	2.1305	2.1520		1.4105	2.3444	2.2471	3.3055	1.3783	2.2075
O6	2.4699	2.7725	3.3864	2.7722	1.4105		1.4836	2.2321	3.2638	2.2707	3.3218
N7	3.7430	4.1187	4.4741	4.1185	2.3444	1.4836		1.3498	2.0919	2.3247	3.3598
C8	3.7384	4.2901	4.1596	4.2902	2.2471	2.2321	1.3498		1.0836	1.4366	2.2606
H9	4.7809	5.3380	5.1050	5.3382	3.3055	3.2638	2.0919	1.0836		2.2779	2.7676
C10	2.6565	3.3471	2.8340	3.3474	1.3783	2.2707	2.3247	1.4366	2.2779		1.0831
H11	3.0940	3.8328	2.8663	3.8333	2.2075	3.3218	3.3598	2.2606	2.7676	1.0831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	O6	116.178	C1	C5	C10	134.812
H2	C1	H3	108.608	H2	C1	H4	108.190
H2	C1	C5	111.014	H3	C1	H4	108.609
H3	C1	C5	109.339	H4	C1	C5	111.014
C5	O6	N7	108.175	C5	C10	C8	105.909
C5	C10	H11	127.082	O6	C5	C10	109.010
O6	N7	C8	103.857	N7	C8	H9	118.151
N7	C8	C10	113.049	C8	C10	H11	127.009
H9	C8	C10	128.800

All results from a given calculation for C₄H₅NO (Isoxazole, 5-methyl-)

using model chemistry: MP2/6-31G

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 C4H5NO (Isoxazole, 5-methyl-)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for C₄H₅NO (Isoxazole, 5-methyl-)