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	hartrees
Energy at 0K	-50.563388
Energy at 298.15K	-50.569550
HF Energy	-50.018338
Nuclear repulsion energy	112.733944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3276	3165	0.94
2	A	3252	3143	4.03
3	A	3160	3054	24.95
4	A	3149	3043	24.87
5	A	3048	2945	27.81
6	A	1612	1558	18.28
7	A	1523	1472	13.51
8	A	1498	1447	11.81
9	A	1464	1415	2.16
10	A	1406	1358	18.20
11	A	1308	1264	15.31
12	A	1229	1188	14.10
13	A	1163	1124	7.74
14	A	1097	1060	1.89
15	A	1047	1012	8.09
16	A	1028	994	3.88
17	A	920	889	5.43
18	A	886	856	6.48
19	A	839	810	14.54
20	A	815	788	9.30
21	A	792	766	59.00
22	A	628	606	1.09
23	A	610	589	0.69
24	A	574	555	0.08
25	A	312	302	2.69
26	A	235	227	4.74
27	A	96	93	0.99

Atom	x (Å)	y (Å)	z (Å)
C1	-2.185	0.014	0.000
H2	-2.539	-0.530	0.900
H3	-2.627	1.030	-0.001
H4	-2.538	-0.532	-0.898
C5	-0.663	0.128	0.000
O6	0.060	-1.110	-0.000
N7	1.514	-0.818	0.000
C8	1.587	0.559	-0.000
H9	2.579	1.017	0.000
C10	0.264	1.193	-0.000
H11	0.036	2.260	-0.000

	C1	H2	H3	H4	C5	O6	N7	C8	H9	C10	H11
C1		1.1091	1.1083	1.1091	1.5265	2.5102	3.7914	3.8107	4.8685	2.7174	3.1585
H2	1.1091		1.8037	1.7981	2.1821	2.8101	4.1613	4.3603	5.4214	3.4100	3.9012
H3	1.1083	1.8037		1.8037	2.1617	3.4350	4.5351	4.2401	5.2064	2.8953	2.9330
H4	1.1091	1.7981	1.8037		2.1820	2.8090	4.1607	4.3603	5.4216	3.4105	3.9023
C5	1.5265	2.1821	2.1617	2.1820		1.4334	2.3736	2.2901	3.3614	1.4110	2.2435
O6	2.5102	2.8101	3.4350	2.8090	1.4334		1.4834	2.2621	3.2971	2.3115	3.3703
N7	3.7914	4.1613	4.5351	4.1607	2.3736	1.4834		1.3792	2.1217	2.3679	3.4152
C8	3.8107	4.3603	4.2401	4.3603	2.2901	2.2621	1.3792		1.0930	1.4669	2.3023
H9	4.8685	5.4214	5.2064	5.4216	3.3614	3.2971	2.1217	1.0930		2.3222	2.8314
C10	2.7174	3.4100	2.8953	3.4105	1.4110	2.3115	2.3679	1.4669	2.3222		1.0918
H11	3.1585	3.9012	2.9330	3.9023	2.2435	3.3703	3.4152	2.3023	2.8314	1.0918

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	O6	115.969	C1	C5	C10	135.320
H2	C1	H3	108.858	H2	C1	H4	108.311
H2	C1	C5	110.772	H3	C1	H4	108.860
H3	C1	C5	109.229	H4	C1	C5	110.765
C5	O6	N7	108.919	C5	C10	C8	105.442
C5	C10	H11	126.909	O6	C5	C10	108.711
O6	N7	C8	104.355	N7	C8	H9	117.772
N7	C8	C10	112.572	C8	C10	H11	127.649
H9	C8	C10	129.655

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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