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	hartrees
Energy at 0K	-211.947854
Energy at 298.15K
HF Energy	-211.160465
Nuclear repulsion energy	190.545346

Atom	x (Å)	y (Å)	z (Å)
N1	0.534	-1.094	0.000
H2	0.417	-2.098	0.000
C3	-0.103	-0.469	1.157
C4	-0.103	-0.469	-1.157
C5	-0.103	1.021	0.776
C6	-0.103	1.021	-0.776
H7	-1.136	-0.810	1.316
H8	-1.136	-0.810	-1.316
H9	0.459	-0.671	2.069
H10	0.459	-0.671	-2.069
H11	0.793	1.508	1.157
H12	0.793	1.508	-1.157
H13	-0.964	1.540	1.192
H14	-0.964	1.540	-1.192

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0108	1.4616	1.4616	2.3412	2.3412	2.1450	2.1450	2.1128	2.1128	2.8592	2.8592	3.2564	3.2564
H2	1.0108		2.0652	2.0652	3.2560	3.2560	2.4088	2.4088	2.5134	2.5134	3.8055	3.8055	4.0701	4.0701
C3	1.4616	2.0652		2.3149	1.5379	2.4405	1.0997	2.7021	1.0894	3.2809	2.1698	3.1724	2.1859	3.2091
C4	1.4616	2.0652	2.3149		2.4405	1.5379	2.7021	1.0997	3.2809	1.0894	3.1724	2.1698	3.2091	2.1859
C5	2.3412	3.2560	1.5379	2.4405		1.5511	2.1709	2.9656	2.2026	3.3569	1.0881	2.1847	1.0883	2.2097
C6	2.3412	3.2560	2.4405	1.5379	1.5511		2.9656	2.1709	3.3569	2.2026	2.1847	1.0881	2.2097	1.0883
H7	2.1450	2.4088	1.0997	2.7021	2.1709	2.9656		2.6316	1.7692	3.7440	3.0195	3.8995	2.3598	3.4415
H8	2.1450	2.4088	2.7021	1.0997	2.9656	2.1709	2.6316		3.7440	1.7692	3.8995	3.0195	3.4415	2.3598
H9	2.1128	2.5134	1.0894	3.2809	2.2026	3.3569	1.7692	3.7440		4.1373	2.3854	3.9068	2.7717	4.1890
H10	2.1128	2.5134	3.2809	1.0894	3.3569	2.2026	3.7440	1.7692	4.1373		3.9068	2.3854	4.1890	2.7717
H11	2.8592	3.8055	2.1698	3.1724	1.0881	2.1847	3.0195	3.8995	2.3854	3.9068		2.3137	1.7571	2.9333
H12	2.8592	3.8055	3.1724	2.1698	2.1847	1.0881	3.8995	3.0195	3.9068	2.3854	2.3137		2.9333	1.7571
H13	3.2564	4.0701	2.1859	3.2091	1.0883	2.2097	2.3598	3.4415	2.7717	4.1890	1.7571	2.9333		2.3844
H14	3.2564	4.0701	3.2091	2.1859	2.2097	1.0883	3.4415	2.3598	4.1890	2.7717	2.9333	1.7571	2.3844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.585	N1	C3	H7	112.983
N1	C3	H9	110.990	N1	C4	C6	102.585
N1	C4	H8	112.983	N1	C4	H10	110.990
H2	N1	C3	112.000	H2	N1	C4	112.000
C3	N1	C4	104.727	C3	C5	C6	104.379
C3	C5	H11	110.253	C3	C5	H13	111.530
C4	C6	C5	104.379	C4	C6	H12	110.253
C4	C6	H14	111.530	C5	C3	H7	109.662
C5	C3	H9	112.818	C5	C6	H12	110.513
C5	C6	H14	112.511	C6	C4	H8	109.662
C6	C4	H10	112.818	C6	C5	H11	110.513
C6	C5	H13	112.511	H7	C3	H9	107.838
H8	C4	H10	107.838	H11	C5	H13	107.672
H12	C6	H14	107.672

All results from a given calculation for C₄H₉N (Pyrrolidine)

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 C4H9N (Pyrrolidine)

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

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)