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	hartrees
Energy at 0K	-284.653106
Energy at 298.15K	-284.659382
HF Energy	-283.717716
Nuclear repulsion energy	223.399977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3334	3160	0.06
2	A	3312	3140	0.29
3	A	3198	3032	5.11
4	A	3174	3009	10.12
5	A	3094	2933	16.34
6	A	1598	1515	19.48
7	A	1523	1444	13.49
8	A	1499	1421	14.52
9	A	1491	1413	9.32
10	A	1439	1364	9.48
11	A	1426	1351	7.94
12	A	1308	1240	0.31
13	A	1184	1122	20.50
14	A	1088	1032	10.66
15	A	1066	1010	0.01
16	A	1036	982	1.75
17	A	993	941	1.60
18	A	967	917	15.55
19	A	918	870	11.08
20	A	783	742	0.53
21	A	731	692	51.87
22	A	666	631	4.87
23	A	598	566	0.48
24	A	560	531	5.61
25	A	340	322	5.95
26	A	227	215	3.82
27	A	105	100	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	2.085	0.013	-0.000
H2	2.462	0.202	1.004
H3	2.470	-0.948	-0.341
H4	2.453	0.794	-0.664
C5	-1.445	0.607	-0.001
O6	-1.367	-0.744	0.002
N7	-0.079	-1.091	-0.002
C8	0.622	0.008	0.001
C9	-0.198	1.094	0.003
H10	0.076	2.097	-0.005
H11	-2.352	1.117	-0.005

	C1	H2	H3	H4	C5	O6	N7	C8	C9	H10	H11
C1		1.0893	1.0899	1.0893	3.5792	3.5333	2.4291	1.4627	2.5260	2.8942	4.5717
H2	1.0893		1.7696	1.7694	4.0543	4.0693	3.0236	2.1048	2.9790	3.2089	5.0025
H3	1.0899	1.7696		1.7725	4.2264	3.8579	2.5760	2.1087	3.3779	3.8879	5.2563
H4	1.0893	1.7694	1.7725		3.9581	4.1710	3.2256	2.1005	2.7497	2.7887	4.8601
C5	3.5792	4.0543	4.2264	3.9581		1.3525	2.1788	2.1520	1.3388	2.1295	1.0404
O6	3.5333	4.0693	3.8579	4.1710	1.3525		1.3336	2.1259	2.1779	3.1859	2.1050
N7	2.4291	3.0236	2.5760	3.2256	2.1788	1.3336		1.3034	2.1884	3.1915	3.1683
C8	1.4627	2.1048	2.1087	2.1005	2.1520	2.1259	1.3034		1.3613	2.1591	3.1738
C9	2.5260	2.9790	3.3779	2.7497	1.3388	2.1779	2.1884	1.3613		1.0395	2.1537
H10	2.8942	3.2089	3.8879	2.7887	2.1295	3.1859	3.1915	2.1591	1.0395		2.6184
H11	4.5717	5.0025	5.2563	4.8601	1.0404	2.1050	3.1683	3.1738	2.1537	2.6184

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C8	N7	122.745	C1	C8	C9	126.849
H2	C1	H3	108.588	H2	C1	H4	108.614
H2	C1	C8	110.271	H3	C1	H4	108.846
H3	C1	C8	110.551	H4	C1	C8	109.924
C5	O6	N7	108.413	C5	C9	C8	105.688
C5	C9	H10	126.668	O6	C5	C9	108.044
O6	C5	H11	122.674	O6	N7	C8	107.447
N7	C8	C9	110.406	C8	C9	H10	127.639
C9	C5	H11	129.282

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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