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	hartrees
Energy at 0K	-284.546824
Energy at 298.15K
HF Energy	-283.640092
Nuclear repulsion energy	224.092882

Atom	x (Å)	y (Å)	z (Å)
C1	2.103	0.016	0.000
H2	2.452	-0.521	-0.881
H3	2.537	1.011	-0.001
H4	2.452	-0.520	0.881
C5	0.615	0.113	-0.000
O6	-0.063	-1.051	0.000
N7	-1.421	-0.789	0.000
C8	-1.534	0.514	-0.000
H9	-2.514	0.961	-0.000
C10	-0.257	1.157	-0.000
H11	-0.039	2.208	0.000

	C1	H2	H3	H4	C5	O6	N7	C8	H9	C10	H11
C1		1.0886	1.0859	1.0886	1.4911	2.4151	3.6154	3.6712	4.7126	2.6220	3.0652
H2	1.0886		1.7692	1.7621	2.1329	2.7169	3.9809	4.2108	5.2558	3.3059	3.7982
H3	1.0859	1.7692		1.7692	2.1208	3.3188	4.3483	4.1009	5.0505	2.7975	2.8399
H4	1.0886	1.7621	1.7692		2.1329	2.7173	3.9811	4.2107	5.2557	3.3056	3.7975
C5	1.4911	2.1329	2.1208	2.1329		1.3479	2.2277	2.1864	3.2418	1.3607	2.1948
O6	2.4151	2.7169	3.3188	2.7173	1.3479		1.3832	2.1478	3.1706	2.2172	3.2597
N7	3.6154	3.9809	4.3483	3.9811	2.2277	1.3832		1.3079	2.0629	2.2682	3.3009
C8	3.6712	4.2108	4.1009	4.2107	2.1864	2.1478	1.3079		1.0767	1.4299	2.2597
H9	4.7126	5.2558	5.0505	5.2557	3.2418	3.1706	2.0629	1.0767		2.2650	2.7714
C10	2.6220	3.3059	2.7975	3.3056	1.3607	2.2172	2.2682	1.4299	2.2650		1.0733
H11	3.0652	3.7982	2.8399	3.7975	2.1948	3.2597	3.3009	2.2597	2.7714	1.0733

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	O6	116.482	C1	C5	C10	133.633
H2	C1	H3	108.899	H2	C1	H4	108.068
H2	C1	C5	110.579	H3	C1	H4	108.898
H3	C1	C5	109.769	H4	C1	C5	110.579
C5	O6	N7	109.307	C5	C10	C8	103.137
C5	C10	H11	128.383	O6	C5	C10	109.885
O6	N7	C8	105.865	N7	C8	H9	119.466
N7	C8	C10	111.806	C8	C10	H11	128.480
H9	C8	C10	128.728

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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