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	hartrees
Energy at 0K	-284.505074
Energy at 298.15K	-284.511522
HF Energy	-283.631044
Nuclear repulsion energy	223.910064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3337	3132	0.08
2	A	3307	3104	3.77
3	A	3211	3013	7.41
4	A	3187	2991	6.79
5	A	3115	2924	9.78
6	A	1721	1616	31.56
7	A	1591	1493	34.44
8	A	1552	1457	7.26
9	A	1534	1440	8.10
10	A	1474	1384	2.27
11	A	1425	1337	11.94
12	A	1319	1238	23.61
13	A	1255	1178	9.31
14	A	1099	1031	2.63
15	A	1089	1022	3.30
16	A	1071	1005	14.47
17	A	1040	976	2.06
18	A	981	921	14.94
19	A	952	893	12.19
20	A	884	830	12.44
21	A	784	736	30.17
22	A	677	636	0.50
23	A	645	605	1.19
24	A	636	597	3.32
25	A	340	319	2.17
26	A	253	237	2.31
27	A	111	104	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	-2.105	0.013	0.000
H2	-2.454	-0.527	0.885
H3	-2.547	1.012	-0.000
H4	-2.454	-0.527	-0.885
C5	-0.619	0.117	-0.000
O6	0.064	-1.050	-0.000
N7	1.428	-0.790	0.000
C8	1.532	0.516	0.000
H9	2.517	0.963	0.000
C10	0.257	1.154	0.000
H11	0.038	2.211	-0.001

	C1	H2	H3	H4	C5	O6	N7	C8	H9	C10	H11
C1		1.0939	1.0918	1.0939	1.4899	2.4163	3.6237	3.6717	4.7190	2.6238	3.0704
H2	1.0939		1.7777	1.7703	2.1363	2.7199	3.9902	4.2135	5.2640	3.3103	3.8068
H3	1.0918	1.7777		1.7778	2.1249	3.3271	4.3641	4.1084	5.0639	2.8073	2.8496
H4	1.0939	1.7703	1.7778		2.1363	2.7196	3.9901	4.2135	5.2642	3.3105	3.8067
C5	1.4899	2.1363	2.1249	2.1363		1.3530	2.2394	2.1875	3.2482	1.3578	2.1947
O6	2.4163	2.7199	3.3271	2.7196	1.3530		1.3886	2.1461	3.1732	2.2133	3.2618
N7	3.6237	3.9902	4.3641	3.9901	2.2394	1.3886		1.3095	2.0634	2.2698	3.3074
C8	3.6717	4.2135	4.1084	4.2135	2.1875	2.1461	1.3095		1.0821	1.4258	2.2597
H9	4.7190	5.2640	5.0639	5.2642	3.2482	3.1732	2.0634	1.0821		2.2681	2.7755
C10	2.6238	3.3103	2.8073	3.3105	1.3578	2.2133	2.2698	1.4258	2.2681		1.0793
H11	3.0704	3.8068	2.8496	3.8067	2.1947	3.2618	3.3074	2.2597	2.7755	1.0793

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	O6	116.329	C1	C5	C10	134.207
H2	C1	H3	108.849	H2	C1	H4	108.033
H2	C1	C5	110.618	H3	C1	H4	108.851
H3	C1	C5	109.822	H4	C1	C5	110.615
C5	O6	N7	109.527	C5	C10	C8	103.574
C5	C10	H11	128.104	O6	C5	C10	109.464
O6	N7	C8	105.345	N7	C8	H9	118.946
N7	C8	C10	112.090	C8	C10	H11	128.322
H9	C8	C10	128.964

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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