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	hartrees
Energy at 0K	-249.926347
Energy at 298.15K
HF Energy	-249.045683
Nuclear repulsion energy	226.934551

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.282
C2	0.000	0.000	1.192
C3	0.000	1.453	-0.775
C4	1.259	-0.727	-0.775
C5	-1.259	-0.727	-0.775
N6	0.000	0.000	2.375
H7	0.000	1.461	-1.866
H8	1.265	-0.730	-1.866
H9	-1.265	-0.730	-1.866
H10	-0.885	1.983	-0.423
H11	0.885	1.983	-0.423
H12	2.160	-0.225	-0.423
H13	1.275	-1.758	-0.423
H14	-1.275	-1.758	-0.423
H15	-2.160	-0.225	-0.423

	C1	C2	C3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4735	1.5346	1.5346	1.5346	2.6570	2.1551	2.1551	2.1551	2.1765	2.1765	2.1765	2.1765	2.1765	2.1765
C2	1.4735		2.4454	2.4454	2.4454	1.1834	3.3890	3.3890	3.3890	2.7065	2.7065	2.7065	2.7065	2.7065	2.7065
C3	1.5346	2.4454		2.5170	2.5170	3.4692	1.0912	2.7495	2.7495	1.0900	1.0900	2.7581	3.4731	3.4731	2.7581
C4	1.5346	2.4454	2.5170		2.5170	3.4692	2.7495	1.0912	2.7495	3.4731	2.7581	1.0900	1.0900	2.7581	3.4731
C5	1.5346	2.4454	2.5170	2.5170		3.4692	2.7495	2.7495	1.0912	2.7581	3.4731	3.4731	2.7581	1.0900	1.0900
N6	2.6570	1.1834	3.4692	3.4692	3.4692		4.4859	4.4859	4.4859	3.5423	3.5423	3.5423	3.5423	3.5423	3.5423
H7	2.1551	3.3890	1.0912	2.7495	2.7495	4.4859		2.5303	2.5303	1.7715	1.7715	3.0970	3.7510	3.7510	3.0970
H8	2.1551	3.3890	2.7495	1.0912	2.7495	4.4859	2.5303		2.5303	3.7510	3.0970	1.7715	1.7715	3.0970	3.7510
H9	2.1551	3.3890	2.7495	2.7495	1.0912	4.4859	2.5303	2.5303		3.0970	3.7510	3.7510	3.0970	1.7715	1.7715
H10	2.1765	2.7065	1.0900	3.4731	2.7581	3.5423	1.7715	3.7510	3.0970		1.7701	3.7618	4.3203	3.7618	2.5502
H11	2.1765	2.7065	1.0900	2.7581	3.4731	3.5423	1.7715	3.0970	3.7510	1.7701		2.5502	3.7618	4.3203	3.7618
H12	2.1765	2.7065	2.7581	1.0900	3.4731	3.5423	3.0970	1.7715	3.7510	3.7618	2.5502		1.7701	3.7618	4.3203
H13	2.1765	2.7065	3.4731	1.0900	2.7581	3.5423	3.7510	1.7715	3.0970	4.3203	3.7618	1.7701		2.5502	3.7618
H14	2.1765	2.7065	3.4731	2.7581	1.0900	3.5423	3.7510	3.0970	1.7715	3.7618	4.3203	3.7618	2.5502		1.7701
H15	2.1765	2.7065	2.7581	3.4731	1.0900	3.5423	3.0970	3.7510	1.7715	2.5502	3.7618	4.3203	3.7618	1.7701

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N6	180.000	C1	C3	H7	109.150
C1	C3	H10	110.907	C1	C3	H11	110.907
C1	C4	H8	109.149	C1	C4	H12	110.907
C1	C4	H13	110.907	C1	C5	H9	109.149
C1	C5	H14	110.907	C1	C5	H15	110.907
C2	C1	C3	108.747	C2	C1	C4	108.747
C2	C1	C5	108.747	C3	C1	C4	110.186
C3	C1	C5	110.186	C4	C1	C5	110.185
H7	C3	H10	108.620	H7	C3	H11	108.620
H8	C4	H12	108.620	H8	C4	H13	108.620
H9	C5	H14	108.620	H9	C5	H15	108.620
H10	C3	H11	108.578	H12	C4	H13	108.578
H14	C5	H15	108.578

All results from a given calculation for C₅H₉N (Propanenitrile, 2,2-dimethyl-)

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 (Propanenitrile, 2,2-dimethyl-)

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

States and conformations

All results from a given calculation for C₅H₉N (Propanenitrile, 2,2-dimethyl-)