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	hartrees
Energy at 0K	-284.588460
Energy at 298.15K	-284.594894
HF Energy	-283.647421
Nuclear repulsion energy	224.091730

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3377	3146	0.08
2	A	3349	3120	2.90
3	A	3245	3023	8.98
4	A	3221	3001	6.93
5	A	3143	2928	13.58
6	A	1715	1598	33.67
7	A	1590	1481	40.40
8	A	1549	1443	6.84
9	A	1527	1422	7.53
10	A	1473	1372	2.14
11	A	1420	1323	11.47
12	A	1316	1226	25.65
13	A	1257	1171	8.69
14	A	1091	1017	0.57
15	A	1085	1011	4.97
16	A	1068	995	11.70
17	A	1036	965	2.75
18	A	979	912	17.61
19	A	951	886	11.56
20	A	888	828	16.84
21	A	777	723	36.44
22	A	676	629	0.29
23	A	638	594	1.74
24	A	612	570	1.89
25	A	341	318	2.18
26	A	243	226	2.58
27	A	109	101	0.84

Atom	x (Å)	y (Å)	z (Å)
C1	2.103	0.017	0.000
H2	2.451	-0.519	-0.881
H3	2.535	1.012	-0.001
H4	2.451	-0.518	0.881
C5	0.617	0.113	-0.000
O6	-0.061	-1.051	0.000
N7	-1.420	-0.790	0.000
C8	-1.536	0.513	-0.000
H9	-2.516	0.957	-0.000
C10	-0.259	1.157	-0.000
H11	-0.041	2.207	0.000

	C1	H2	H3	H4	C5	O6	N7	C8	H9	C10	H11
C1		1.0881	1.0854	1.0881	1.4897	2.4131	3.6142	3.6727	4.7138	2.6224	3.0652
H2	1.0881		1.7687	1.7622	2.1309	2.7144	3.9790	4.2114	5.2559	3.3053	3.7972
H3	1.0854	1.7687		1.7687	2.1183	3.3159	4.3460	4.1013	5.0510	2.7969	2.8391
H4	1.0881	1.7622	1.7687		2.1309	2.7148	3.9792	4.2113	5.2557	3.3050	3.7965
C5	1.4897	2.1309	2.1183	2.1309		1.3472	2.2279	2.1893	3.2441	1.3616	2.1945
O6	2.4131	2.7144	3.3159	2.7148	1.3472		1.3838	2.1494	3.1714	2.2163	3.2582
N7	3.6142	3.9790	4.3460	3.9792	2.2279	1.3838		1.3075	2.0621	2.2666	3.2992
C8	3.6727	4.2114	4.1013	4.2113	2.1893	2.1494	1.3075		1.0760	1.4306	2.2600
H9	4.7138	5.2559	5.0510	5.2557	3.2441	3.1714	2.0621	1.0760		2.2662	2.7730
C10	2.6224	3.3053	2.7969	3.3050	1.3616	2.2163	2.2666	1.4306	2.2662		1.0730
H11	3.0652	3.7972	2.8391	3.7965	2.1945	3.2582	3.2992	2.2600	2.7730	1.0730

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	O6	116.469	C1	C5	C10	133.725
H2	C1	H3	108.928	H2	C1	H4	108.148
H2	C1	C5	110.545	H3	C1	H4	108.927
H3	C1	C5	109.703	H4	C1	C5	110.545
C5	O6	N7	109.322	C5	C10	C8	103.244
C5	C10	H11	128.296	O6	C5	C10	109.806
O6	N7	C8	105.965	N7	C8	H9	119.480
N7	C8	C10	111.663	C8	C10	H11	128.461
H9	C8	C10	128.857

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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