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	hartrees
Energy at 0K	-284.528344
Energy at 298.15K	-284.534720
HF Energy	-283.637462
Nuclear repulsion energy	223.410040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3363	3150	0.05
2	A	3333	3122	2.44
3	A	3247	3041	6.68
4	A	3227	3022	6.98
5	A	3138	2939	11.90
6	A	1675	1569	22.37
7	A	1550	1452	8.41
8	A	1532	1435	6.54
9	A	1517	1421	19.14
10	A	1462	1369	1.87
11	A	1393	1304	9.27
12	A	1309	1225	11.38
13	A	1231	1153	7.41
14	A	1092	1023	1.42
15	A	1086	1017	3.16
16	A	1054	987	10.37
17	A	1016	952	2.23
18	A	957	896	13.85
19	A	934	875	8.74
20	A	861	806	11.37
21	A	796	746	27.33
22	A	667	625	0.65
23	A	641	600	0.86
24	A	620	580	2.12
25	A	333	312	1.78
26	A	245	230	1.82
27	A	93	87	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	-2.108	0.015	0.000
H2	-2.458	-0.518	0.882
H3	-2.543	1.012	-0.001
H4	-2.458	-0.519	-0.882
C5	-0.624	0.119	-0.000
O6	0.062	-1.055	0.000
N7	1.431	-0.799	-0.000
C8	1.531	0.524	0.000
H9	2.514	0.967	0.000
C10	0.266	1.156	0.000
H11	0.044	2.208	-0.001

	C1	H2	H3	H4	C5	O6	N7	C8	H9	C10	H11
C1		1.0890	1.0873	1.0890	1.4868	2.4193	3.6310	3.6738	4.7184	2.6331	3.0719
H2	1.0890		1.7683	1.7639	2.1323	2.7237	3.9978	4.2163	5.2634	3.3166	3.8042
H3	1.0873	1.7683		1.7683	2.1163	3.3252	4.3669	4.1028	5.0571	2.8125	2.8502
H4	1.0890	1.7639	1.7683		2.1323	2.7233	3.9976	4.2165	5.2638	3.3170	3.8045
C5	1.4868	2.1323	2.1163	2.1323		1.3595	2.2508	2.1931	3.2508	1.3667	2.1936
O6	2.4193	2.7237	3.3252	2.7233	1.3595		1.3926	2.1568	3.1777	2.2198	3.2628
N7	3.6310	3.9978	4.3669	3.9976	2.2508	1.3926		1.3272	2.0712	2.2754	3.3111
C8	3.6738	4.2163	4.1028	4.2165	2.1931	2.1568	1.3272		1.0779	1.4136	2.2458
H9	4.7184	5.2634	5.0571	5.2638	3.2508	3.1777	2.0712	1.0779		2.2560	2.7641
C10	2.6331	3.3166	2.8125	3.3170	1.3667	2.2198	2.2754	1.4136	2.2560		1.0753
H11	3.0719	3.8042	2.8502	3.8045	2.1936	3.2628	3.3111	2.2458	2.7641	1.0753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	O6	116.346	C1	C5	C10	134.624
H2	C1	H3	108.685	H2	C1	H4	108.166
H2	C1	C5	110.809	H3	C1	H4	108.687
H3	C1	C5	109.624	H4	C1	C5	110.808
C5	O6	N7	109.732	C5	C10	C8	104.131
C5	C10	H11	127.460	O6	C5	C10	109.031
O6	N7	C8	104.909	N7	C8	H9	118.530
N7	C8	C10	112.196	C8	C10	H11	128.409
H9	C8	C10	129.274

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-)