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	hartrees
Energy at 0K	-284.631242
Energy at 298.15K	-284.637632
HF Energy	-283.696261
Nuclear repulsion energy	223.745118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3316	3151	0.15
2	A	3284	3121	1.62
3	A	3192	3033	6.95
4	A	3167	3010	7.11
5	A	3087	2933	12.95
6	A	1647	1565	23.79
7	A	1514	1439	10.02
8	A	1494	1420	8.62
9	A	1487	1413	19.59
10	A	1429	1358	2.00
11	A	1375	1306	10.29
12	A	1296	1231	13.28
13	A	1210	1150	8.29
14	A	1074	1020	1.04
15	A	1067	1014	2.68
16	A	1043	991	15.93
17	A	1014	964	1.64
18	A	963	915	10.68
19	A	932	886	9.45
20	A	860	817	4.09
21	A	816	775	41.05
22	A	665	632	0.53
23	A	640	608	1.29
24	A	632	600	0.44
25	A	331	315	1.79
26	A	243	231	2.37
27	A	92	87	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	-2.107	0.015	0.000
H2	-2.458	-0.520	0.886
H3	-2.541	1.016	-0.000
H4	-2.458	-0.521	-0.886
C5	-0.621	0.115	-0.000
O6	0.065	-1.050	-0.000
N7	1.421	-0.799	0.000
C8	1.533	0.521	-0.000
H9	2.524	0.954	0.000
C10	0.266	1.158	0.000
H11	0.040	2.212	-0.000

	C1	H2	H3	H4	C5	O6	N7	C8	H9	C10	H11
C1		1.0934	1.0915	1.0934	1.4891	2.4190	3.6200	3.6742	4.7243	2.6332	3.0714
H2	1.0934		1.7760	1.7719	2.1361	2.7261	3.9882	4.2183	5.2700	3.3195	3.8066
H3	1.0915	1.7760		1.7761	2.1219	3.3265	4.3583	4.1041	5.0653	2.8110	2.8449
H4	1.0934	1.7719	1.7761		2.1361	2.7257	3.9880	4.2183	5.2701	3.3198	3.8070
C5	1.4891	2.1361	2.1219	2.1361		1.3519	2.2366	2.1915	3.2545	1.3691	2.1992
O6	2.4190	2.7261	3.3265	2.7257	1.3519		1.3787	2.1503	3.1721	2.2171	3.2626
N7	3.6200	3.9882	4.3583	3.9880	2.2366	1.3787		1.3251	2.0714	2.2720	3.3127
C8	3.6742	4.2183	4.1041	4.2183	2.1915	2.1503	1.3251		1.0814	1.4175	2.2555
H9	4.7243	5.2700	5.0653	5.2701	3.2545	3.1721	2.0714	1.0814		2.2666	2.7839
C10	2.6332	3.3195	2.8110	3.3198	1.3691	2.2171	2.2720	1.4175	2.2666		1.0785
H11	3.0714	3.8066	2.8449	3.8070	2.1992	3.2626	3.3127	2.2555	2.7839	1.0785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	O6	116.667	C1	C5	C10	134.192
H2	C1	H3	108.756	H2	C1	H4	108.247
H2	C1	C5	110.685	H3	C1	H4	108.758
H3	C1	C5	109.660	H4	C1	C5	110.681
C5	O6	N7	109.986	C5	C10	C8	103.698
C5	C10	H11	127.531	O6	C5	C10	109.141
O6	N7	C8	105.348	N7	C8	H9	118.451
N7	C8	C10	111.827	C8	C10	H11	128.771
H9	C8	C10	129.722

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

using model chemistry: MP2/6-311G**

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: MP2/6-311G**

States and conformations

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