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	hartrees
Energy at 0K	-249.952940
Energy at 298.15K
HF Energy	-249.045328
Nuclear repulsion energy	227.275980

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.281
C2	0.000	0.000	1.199
C3	0.000	1.462	-0.772
C4	1.266	-0.731	-0.772
C5	-1.266	-0.731	-0.772
N6	0.000	0.000	2.356
H7	0.000	1.473	-1.860
H8	1.275	-0.736	-1.860
H9	-1.275	-0.736	-1.860
H10	-0.882	1.991	-0.419
H11	0.882	1.991	-0.419
H12	2.166	-0.232	-0.419
H13	1.283	-1.760	-0.419
H14	-1.283	-1.760	-0.419
H15	-2.166	-0.232	-0.419

	C1	C2	C3	C4	C5	N6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4795	1.5421	1.5421	1.5421	2.6370	2.1597	2.1597	2.1597	2.1823	2.1823	2.1823	2.1823	2.1823	2.1823
C2	1.4795		2.4539	2.4539	2.4539	1.1575	3.3952	3.3952	3.3952	2.7132	2.7132	2.7132	2.7132	2.7132	2.7132
C3	1.5421	2.4539		2.5315	2.5315	3.4532	1.0881	2.7643	2.7643	1.0878	1.0878	2.7715	3.4853	3.4853	2.7715
C4	1.5421	2.4539	2.5315		2.5315	3.4532	2.7643	1.0881	2.7643	3.4853	2.7715	1.0878	1.0878	2.7715	3.4853
C5	1.5421	2.4539	2.5315	2.5315		3.4532	2.7643	2.7643	1.0881	2.7715	3.4853	3.4853	2.7715	1.0878	1.0878
N6	2.6370	1.1575	3.4532	3.4532	3.4532		4.4664	4.4664	4.4664	3.5281	3.5281	3.5281	3.5281	3.5281	3.5281
H7	2.1597	3.3952	1.0881	2.7643	2.7643	4.4664		2.5508	2.5508	1.7673	1.7673	3.1098	3.7645	3.7645	3.1098
H8	2.1597	3.3952	2.7643	1.0881	2.7643	4.4664	2.5508		2.5508	3.7645	3.1098	1.7673	1.7673	3.1098	3.7645
H9	2.1597	3.3952	2.7643	2.7643	1.0881	4.4664	2.5508	2.5508		3.1098	3.7645	3.7645	3.1098	1.7673	1.7673
H10	2.1823	2.7132	1.0878	3.4853	2.7715	3.5281	1.7673	3.7645	3.1098		1.7644	3.7722	4.3311	3.7722	2.5667
H11	2.1823	2.7132	1.0878	2.7715	3.4853	3.5281	1.7673	3.1098	3.7645	1.7644		2.5667	3.7722	4.3311	3.7722
H12	2.1823	2.7132	2.7715	1.0878	3.4853	3.5281	3.1098	1.7673	3.7645	3.7722	2.5667		1.7644	3.7722	4.3311
H13	2.1823	2.7132	3.4853	1.0878	2.7715	3.5281	3.7645	1.7673	3.1098	4.3311	3.7722	1.7644		2.5667	3.7722
H14	2.1823	2.7132	3.4853	2.7715	1.0878	3.5281	3.7645	3.1098	1.7673	3.7722	4.3311	3.7722	2.5667		1.7644
H15	2.1823	2.7132	2.7715	3.4853	1.0878	3.5281	3.1098	3.7645	1.7673	2.5667	3.7722	4.3311	3.7722	1.7644

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N6	180.000	C1	C3	H7	109.178
C1	C3	H10	110.980	C1	C3	H11	110.980
C1	C4	H8	109.178	C1	C4	H12	110.980
C1	C4	H13	110.980	C1	C5	H9	109.178
C1	C5	H14	110.980	C1	C5	H15	110.980
C2	C1	C3	108.591	C2	C1	C4	108.591
C2	C1	C5	108.591	C3	C1	C4	110.337
C3	C1	C5	110.337	C4	C1	C5	110.337
H7	C3	H10	108.628	H7	C3	H11	108.628
H8	C4	H12	108.628	H8	C4	H13	108.628
H9	C5	H14	108.628	H9	C5	H15	108.628
H10	C3	H11	108.384	H12	C4	H13	108.384
H14	C5	H15	108.384

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

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 C5H9N (Propanenitrile, 2,2-dimethyl-)

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

States and conformations

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