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	hartrees
Energy at 0K	-211.575620
Energy at 298.15K	-211.586982
HF Energy	-211.048953
Nuclear repulsion energy	187.384410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3522	3394	1.10
2	A'	3092	2979	75.92
3	A'	3065	2954	4.36
4	A'	3041	2930	46.62
5	A'	2914	2808	133.04
6	A'	1578	1521	1.02
7	A'	1558	1502	3.06
8	A'	1425	1373	1.18
9	A'	1347	1298	2.29
10	A'	1257	1211	0.82
11	A'	1241	1196	5.98
12	A'	1087	1048	1.41
13	A'	1016	979	9.06
14	A'	940	906	0.65
15	A'	892	860	0.64
16	A'	850	819	35.78
17	A'	761	733	50.59
18	A'	566	545	94.81
19	A'	262	252	5.13
20	A"	3071	2960	13.12
21	A"	3057	2946	49.32
22	A"	3028	2918	21.30
23	A"	2910	2804	41.40
24	A"	1565	1508	1.87
25	A"	1543	1487	0.92
26	A"	1483	1429	4.60
27	A"	1365	1315	0.15
28	A"	1334	1286	22.73
29	A"	1278	1232	5.33
30	A"	1219	1175	0.04
31	A"	1147	1105	9.91
32	A"	1116	1075	5.87
33	A"	936	902	0.26
34	A"	888	855	2.90
35	A"	650	626	1.21
36	A"	23	22	0.21

Atom	x (Å)	y (Å)	z (Å)
N1	0.503	-1.125	0.000
H2	0.457	-2.144	0.000
C3	-0.099	-0.470	1.194
C4	-0.099	-0.470	-1.194
C5	-0.099	1.036	0.787
C6	-0.099	1.036	-0.787
H7	-1.140	-0.809	1.394
H8	-1.140	-0.809	-1.394
H9	0.505	-0.671	2.092
H10	0.505	-0.671	-2.092
H11	0.806	1.533	1.170
H12	0.806	1.533	-1.170
H13	-0.973	1.564	1.202
H14	-0.973	1.564	-1.202

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0202	1.4887	1.4887	2.3777	2.3777	2.1778	2.1778	2.1402	2.1402	2.9203	2.9203	3.2950	3.2950
H2	1.0202		2.1299	2.1299	3.3233	3.3233	2.5051	2.5051	2.5587	2.5587	3.8751	3.8751	4.1526	4.1526
C3	1.4887	2.1299		2.3871	1.5601	2.4886	1.1131	2.8095	1.1009	3.3463	2.1987	3.2281	2.2142	3.2623
C4	1.4887	2.1299	2.3871		2.4886	1.5601	2.8095	1.1131	3.3463	1.1009	3.2281	2.1987	3.2623	2.2142
C5	2.3777	3.3233	1.5601	2.4886		1.5748	2.2039	3.0410	2.2319	3.4013	1.1015	2.2133	1.1022	2.2363
C6	2.3777	3.3233	2.4886	1.5601	1.5748		3.0410	2.2039	3.4013	2.2319	2.2133	1.1015	2.2363	1.1022
H7	2.1778	2.5051	1.1131	2.8095	2.2039	3.0410		2.7877	1.7925	3.8567	3.0539	3.9812	2.3872	3.5216
H8	2.1778	2.5051	2.8095	1.1131	3.0410	2.2039	2.7877		3.8567	1.7925	3.9812	3.0539	3.5216	2.3872
H9	2.1402	2.5587	1.1009	3.3463	2.2319	3.4013	1.7925	3.8567		4.1831	2.4083	3.9483	2.8238	4.2464
H10	2.1402	2.5587	3.3463	1.1009	3.4013	2.2319	3.8567	1.7925	4.1831		3.9483	2.4083	4.2464	2.8238
H11	2.9203	3.8751	2.1987	3.2281	1.1015	2.2133	3.0539	3.9812	2.4083	3.9483		2.3402	1.7798	2.9655
H12	2.9203	3.8751	3.2281	2.1987	2.2133	1.1015	3.9812	3.0539	3.9483	2.4083	2.3402		2.9655	1.7798
H13	3.2950	4.1526	2.2142	3.2623	1.1022	2.2363	2.3872	3.5216	2.8238	4.2464	1.7798	2.9655		2.4044
H14	3.2950	4.1526	3.2623	2.2142	2.2363	1.1022	3.5216	2.3872	4.2464	2.8238	2.9655	1.7798	2.4044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.478	N1	C3	H7	112.864
N1	C3	H9	110.587	N1	C4	C6	102.478
N1	C4	H8	112.864	N1	C4	H10	110.587
H2	N1	C3	114.911	H2	N1	C4	114.911
C3	N1	C4	106.598	C3	C5	C6	105.090
C3	C5	H11	110.204	C3	C5	H13	111.390
C4	C6	C5	105.090	C4	C6	H12	110.204
C4	C6	H14	111.390	C5	C3	H7	109.939
C5	C3	H9	112.877	C5	C6	H12	110.330
C5	C6	H14	112.107	C6	C4	H8	109.939
C6	C4	H10	112.877	C6	C5	H11	110.330
C6	C5	H13	112.107	H7	C3	H9	108.114
H8	C4	H10	108.114	H11	C5	H13	107.738
H12	C6	H14	107.738

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: QCISD/6-31G

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: QCISD/6-31G

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)