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	hartrees
Energy at 0K	-249.920566
Energy at 298.15K
HF Energy	-249.044009
Nuclear repulsion energy	219.807815

Atom	x (Å)	y (Å)	z (Å)
C1	-1.522	-0.279	0.122
N2	-2.606	-0.682	-0.094
C3	-0.012	1.640	-0.152
H4	-0.124	1.666	-1.236
H5	-0.771	2.283	0.290
H6	0.968	2.039	0.107
C7	2.302	-0.432	0.074
H8	2.448	-0.393	1.155
H9	2.969	-1.194	-0.327
H10	2.605	0.527	-0.345
C11	0.854	-0.769	-0.268
H12	0.712	-0.764	-1.351
H13	0.622	-1.779	0.078
C14	-0.153	0.204	0.363
H15	-0.005	0.201	1.447

	C1	N2	C3	H4	H5	H6	C7	H8	H9	H10	C11	H12	H13	C14	H15
C1		1.1760	2.4575	2.7535	2.6753	3.4022	3.8274	4.1037	4.6059	4.2313	2.4575	2.7202	2.6173	1.4720	2.0710
N2	1.1760		3.4819	3.6017	3.5079	4.4962	4.9167	5.2135	5.6034	5.3551	3.4651	3.5487	3.4136	2.6478	3.1498
C3	2.4575	3.4819		1.0903	1.0891	1.0890	3.1134	3.4482	4.1168	2.8501	2.5626	2.7826	3.4844	1.5315	2.1510
H4	2.7535	3.6017	1.0903		1.7686	1.7708	3.4642	4.0709	4.3100	3.0887	2.7971	2.5725	3.7614	2.1662	3.0593
H5	2.6753	3.5079	1.0891	1.7686		1.7660	4.1062	4.2750	5.1444	3.8585	3.5030	3.7658	4.2995	2.1702	2.5025
H6	3.4022	4.4962	1.0890	1.7708	1.7660		2.8077	3.0339	3.8269	2.2738	2.8354	3.1702	3.8333	2.1651	2.4740
C7	3.8274	4.9167	3.1134	3.4642	4.1062	2.8077		1.0913	1.0898	1.0895	1.5254	2.1612	2.1528	2.5520	2.7579
H8	4.1037	5.2135	3.4482	4.0709	4.2750	3.0339	1.0913		1.7630	1.7672	2.1692	3.0713	2.5317	2.7835	2.5404
H9	4.6059	5.6034	4.1168	4.3100	5.1444	3.8269	1.0898	1.7630		1.7592	2.1584	2.5163	2.4524	3.4899	3.7335
H10	4.2313	5.3551	2.8501	3.0887	3.8585	2.2738	1.0895	1.7672	1.7592		2.1801	2.5029	3.0703	2.8657	3.1830
C11	2.4575	3.4651	2.5626	2.7971	3.5030	2.8354	1.5254	2.1692	2.1584	2.1801		1.0930	1.0918	1.5361	2.1497
H12	2.7202	3.5487	2.7826	2.5725	3.7658	3.1702	2.1612	3.0713	2.5163	2.5029	1.0930		1.7553	2.1506	3.0462
H13	2.6173	3.4136	3.4844	3.7614	4.2995	3.8333	2.1528	2.5317	2.4524	3.0703	1.0918	1.7553		2.1481	2.4874
C14	1.4720	2.6478	1.5315	2.1662	2.1702	2.1651	2.5520	2.7835	3.4899	2.8657	1.5361	2.1506	2.1481		1.0946
H15	2.0710	3.1498	2.1510	3.0593	2.5025	2.4740	2.7579	2.5404	3.7335	3.1830	2.1497	3.0462	2.4874	1.0946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C14	C3	109.798	C1	C14	C11	109.547
C1	C14	H15	106.666	N2	C1	C14	178.462
C3	C14	C11	113.312	C3	C14	H15	108.853
H4	C3	H5	108.485	H4	C3	H6	108.687
H4	C3	C14	110.295	H5	C3	H6	108.346
H5	C3	C14	110.681	H6	C3	C14	110.284
C7	C11	H12	110.160	C7	C11	H13	109.569
C7	C11	C14	112.939	H8	C7	H9	107.861
H8	C7	H10	108.261	H8	C7	C11	110.895
H9	C7	H10	107.660	H9	C7	C11	110.130
H10	C7	C11	111.888	C11	C14	H15	108.437
H12	C11	H13	106.912	H12	C11	C14	108.597
H13	C11	C14	108.469

All results from a given calculation for C₅H₉N (Butanenitrile, 2-methyl-)

using model chemistry: MP2/6-31+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 C5H9N (Butanenitrile, 2-methyl-)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for C₅H₉N (Butanenitrile, 2-methyl-)