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	hartrees
Energy at 0K	-284.488992
Energy at 298.15K	-284.495351
HF Energy	-283.628395
Nuclear repulsion energy	223.242253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3329	3140	0.12
2	A	3302	3114	2.02
3	A	3218	3034	5.74
4	A	3197	3015	5.69
5	A	3115	2937	9.88
6	A	1672	1577	23.61
7	A	1553	1465	9.97
8	A	1536	1449	8.24
9	A	1513	1427	20.07
10	A	1468	1385	1.73
11	A	1392	1313	10.06
12	A	1309	1234	12.20
13	A	1231	1161	9.05
14	A	1094	1032	2.06
15	A	1087	1025	3.30
16	A	1055	995	10.93
17	A	1016	958	2.15
18	A	956	901	13.55
19	A	934	881	9.11
20	A	849	801	14.56
21	A	784	739	28.26
22	A	668	630	0.66
23	A	642	605	0.87
24	A	621	585	2.41
25	A	334	315	1.96
26	A	246	232	2.01
27	A	96	91	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	2.106	0.017	-0.000
H2	2.461	-0.519	-0.884
H3	2.539	1.019	-0.000
H4	2.461	-0.518	0.885
C5	0.622	0.115	-0.000
O6	-0.059	-1.058	0.000
N7	-1.433	-0.797	0.000
C8	-1.530	0.523	-0.000
H9	-2.515	0.973	-0.000
C10	-0.264	1.157	-0.000
H11	-0.043	2.214	-0.000

	C1	H2	H3	H4	C5	O6	N7	C8	H9	C10	H11
C1		1.0936	1.0914	1.0936	1.4870	2.4176	3.6313	3.6708	4.7189	2.6291	3.0730
H2	1.0936		1.7757	1.7689	2.1371	2.7251	4.0032	4.2189	5.2702	3.3189	3.8110
H3	1.0914	1.7757		1.7757	2.1193	3.3267	4.3675	4.0991	5.0546	2.8060	2.8452
H4	1.0936	1.7689	1.7757		2.1371	2.7255	4.0034	4.2188	5.2701	3.3187	3.8106
C5	1.4870	2.1371	2.1193	2.1371		1.3571	2.2484	2.1904	3.2525	1.3670	2.2016
O6	2.4176	2.7251	3.3267	2.7255	1.3571		1.3986	2.1598	3.1871	2.2244	3.2724
N7	3.6313	4.0032	4.3675	4.0034	2.2484	1.3986		1.3235	2.0740	2.2767	3.3159
C8	3.6708	4.2189	4.0991	4.2188	2.1904	2.1598	1.3235		1.0830	1.4159	2.2513
H9	4.7189	5.2702	5.0546	5.2701	3.2525	3.1871	2.0740	1.0830		2.2593	2.7663
C10	2.6291	3.3189	2.8060	3.3187	1.3670	2.2244	2.2767	1.4159	2.2593		1.0800
H11	3.0730	3.8110	2.8452	3.8106	2.2016	3.2724	3.3159	2.2513	2.7663	1.0800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	O6	116.359	C1	C5	C10	134.156
H2	C1	H3	108.712	H2	C1	H4	107.948
H2	C1	C5	110.898	H3	C1	H4	108.712
H3	C1	C5	109.608	H4	C1	C5	110.899
C5	O6	N7	109.350	C5	C10	C8	103.811
C5	C10	H11	127.847	O6	C5	C10	109.485
O6	N7	C8	104.982	N7	C8	H9	118.705
N7	C8	C10	112.373	C8	C10	H11	128.342
H9	C8	C10	128.922

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-)