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	hartrees
Energy at 0K	-284.537572
Energy at 298.15K	-284.543962
HF Energy	-283.650761
Nuclear repulsion energy	222.750120

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3324	3166	0.23
2	A	3294	3137	1.50
3	A	3210	3058	5.36
4	A	3185	3034	5.63
5	A	3095	2948	14.44
6	A	1654	1576	24.40
7	A	1498	1427	22.22
8	A	1486	1415	4.22
9	A	1473	1403	7.78
10	A	1412	1345	2.70
11	A	1370	1305	11.01
12	A	1301	1240	11.40
13	A	1200	1143	8.38
14	A	1062	1011	1.84
15	A	1058	1008	2.33
16	A	1031	982	18.08
17	A	1010	962	1.49
18	A	950	905	8.19
19	A	926	882	10.09
20	A	873	832	5.30
21	A	810	772	33.93
22	A	664	633	0.53
23	A	646	615	1.15
24	A	639	609	0.69
25	A	328	313	1.67
26	A	249	237	2.31
27	A	93	89	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	2.113	0.016	-0.000
H2	2.470	-0.525	-0.891
H3	2.552	1.024	-0.000
H4	2.470	-0.524	0.892
C5	0.624	0.114	-0.000
O6	-0.065	-1.055	0.000
N7	-1.425	-0.804	-0.000
C8	-1.539	0.523	0.000
H9	-2.538	0.960	-0.000
C10	-0.267	1.164	-0.000
H11	-0.039	2.227	0.000

	C1	H2	H3	H4	C5	O6	N7	C8	H9	C10	H11
C1		1.1019	1.0998	1.1019	1.4923	2.4270	3.6320	3.6866	4.7454	2.6426	3.0856
H2	1.1019		1.7888	1.7827	2.1475	2.7394	4.0060	4.2385	5.2990	3.3378	3.8295
H3	1.0998	1.7888		1.7888	2.1320	3.3423	4.3773	4.1210	5.0898	2.8227	2.8564
H4	1.1019	1.7827	1.7888		2.1475	2.7395	4.0061	4.2383	5.2988	3.3376	3.8291
C5	1.4923	2.1475	2.1320	2.1475		1.3568	2.2455	2.2008	3.2727	1.3770	2.2148
O6	2.4270	2.7394	3.3423	2.7395	1.3568		1.3830	2.1588	3.1894	2.2276	3.2822
N7	3.6320	4.0060	4.3773	4.0061	2.2455	1.3830		1.3322	2.0857	2.2833	3.3335
C8	3.6866	4.2385	4.1210	4.2383	2.2008	2.1588	1.3322		1.0904	1.4235	2.2702
H9	4.7454	5.2990	5.0898	5.2988	3.2727	3.1894	2.0857	1.0904		2.2793	2.8017
C10	2.6426	3.3378	2.8227	3.3376	1.3770	2.2276	2.2833	1.4235	2.2793		1.0879
H11	3.0856	3.8295	2.8564	3.8291	2.2148	3.2822	3.3335	2.2702	2.8017	1.0879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C5	O6	116.749	C1	C5	C10	134.107
H2	C1	H3	108.674	H2	C1	H4	107.977
H2	C1	C5	110.853	H3	C1	H4	108.675
H3	C1	C5	109.747	H4	C1	C5	110.848
C5	O6	N7	110.085	C5	C10	C8	103.590
C5	C10	H11	127.538	O6	C5	C10	109.144
O6	N7	C8	105.318	N7	C8	H9	118.506
N7	C8	C10	111.863	C8	C10	H11	128.871
H9	C8	C10	129.631

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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