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	hartrees
Energy at 0K	-284.629868
Energy at 298.15K	-284.636316
HF Energy	-283.694358
Nuclear repulsion energy	223.202930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3319	3154	0.05
2	A	3297	3133	0.13
3	A	3190	3031	5.20
4	A	3166	3008	11.44
5	A	3085	2931	15.72
6	A	1593	1514	19.45
7	A	1518	1443	13.29
8	A	1502	1427	13.70
9	A	1502	1427	8.28
10	A	1438	1366	15.39
11	A	1418	1348	0.81
12	A	1298	1233	0.20
13	A	1183	1124	17.92
14	A	1085	1031	11.07
15	A	1073	1020	0.66
16	A	1034	982	2.05
17	A	996	947	12.98
18	A	984	935	4.50
19	A	920	875	9.09
20	A	851	808	0.68
21	A	779	740	49.37
22	A	666	633	4.58
23	A	642	610	0.01
24	A	619	588	3.20
25	A	333	317	5.78
26	A	264	251	5.32
27	A	120	114	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-2.133	0.020	0.000
H2	-2.527	0.526	-0.886
H3	-2.483	-1.014	0.000
H4	-2.527	0.526	0.886
C5	1.488	0.573	0.000
O6	1.371	-0.769	-0.000
N7	0.035	-1.106	-0.000
C8	-0.637	0.039	-0.000
C9	0.251	1.150	-0.000
H10	0.010	2.202	0.000
H11	2.498	0.954	0.000

	C1	H2	H3	H4	C5	O6	N7	C8	C9	H10	H11
C1		1.0935	1.0916	1.0935	3.6630	3.5914	2.4431	1.4958	2.6383	3.0576	4.7244
H2	1.0935		1.7768	1.7715	4.1119	4.2016	3.1643	2.1431	2.9819	3.1665	5.1206
H3	1.0916	1.7768		1.7768	4.2766	3.8619	2.5204	2.1250	3.4870	4.0685	5.3561
H4	1.0935	1.7715	1.7768		4.1118	4.2015	3.1642	2.1431	2.9819	3.1664	5.1205
C5	3.6630	4.1119	4.2766	4.1118		1.3467	2.2197	2.1914	1.3651	2.1999	1.0797
O6	3.5914	4.2016	3.8619	4.2015	1.3467		1.3772	2.1643	2.2217	3.2675	2.0592
N7	2.4431	3.1643	2.5204	3.1642	2.2197	1.3772		1.3274	2.2660	3.3074	3.2107
C8	1.4958	2.1431	2.1250	2.1431	2.1914	2.1643	1.3274		1.4228	2.2575	3.2664
C9	2.6383	2.9819	3.4870	2.9819	1.3651	2.2217	2.2660	1.4228		1.0790	2.2555
H10	3.0576	3.1665	4.0685	3.1664	2.1999	3.2675	3.3074	2.2575	1.0790		2.7837
H11	4.7244	5.1206	5.3561	5.1205	1.0797	2.0592	3.2107	3.2664	2.2555	2.7837

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	N7	119.732	C1	C8	C9	129.353
H2	C1	H3	108.812	H2	C1	H4	108.200
H2	C1	C8	110.768	H3	C1	H4	108.809
H3	C1	C8	109.437	H4	C1	C8	110.764
C5	O6	N7	109.155	C5	C9	C8	103.617
C5	C9	H10	127.963	O6	C5	C9	110.023
O6	C5	H11	115.698	O6	N7	C8	106.290
N7	C8	C9	110.915	C8	C9	H10	128.420
C9	C5	H11	134.279

All results from a given calculation for C₄H₅NO (3-Methylisoxazole)

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 (3-Methylisoxazole)

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

States and conformations

All results from a given calculation for C₄H₅NO (3-Methylisoxazole)