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	hartrees
Energy at 0K	-212.600398
Energy at 298.15K	-212.611892
Nuclear repulsion energy	189.899089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3528	3405	0.73
2	A'	3118	3008	58.32
3	A'	3076	2969	21.79
4	A'	3062	2955	31.69
5	A'	2925	2823	133.63
6	A'	1533	1480	1.03
7	A'	1505	1453	2.17
8	A'	1403	1354	4.10
9	A'	1317	1271	0.61
10	A'	1246	1203	1.89
11	A'	1225	1182	6.03
12	A'	1068	1031	0.65
13	A'	1008	972	2.75
14	A'	944	911	4.52
15	A'	904	872	2.16
16	A'	873	842	51.03
17	A'	764	738	25.32
18	A'	577	557	45.24
19	A'	291	281	3.25
20	A"	3096	2988	0.13
21	A"	3067	2959	95.65
22	A"	3058	2951	0.00
23	A"	2920	2818	45.87
24	A"	1514	1461	2.11
25	A"	1487	1435	0.22
26	A"	1441	1391	4.41
27	A"	1330	1283	4.19
28	A"	1308	1262	17.07
29	A"	1247	1204	6.77
30	A"	1202	1160	0.18
31	A"	1137	1098	13.80
32	A"	1109	1070	2.71
33	A"	933	900	0.04
34	A"	871	841	2.87
35	A"	638	616	0.70
36	A"	76	73	0.09

Atom	x (Å)	y (Å)	z (Å)
N1	0.525	-1.103	0.000
H2	0.396	-2.109	0.000
C3	-0.100	-0.469	1.161
C4	-0.100	-0.469	-1.161
C5	-0.100	1.025	0.778
C6	-0.100	1.025	-0.778
H7	-1.139	-0.810	1.330
H8	-1.139	-0.810	-1.330
H9	0.468	-0.679	2.073
H10	0.468	-0.679	-2.073
H11	0.797	1.518	1.160
H12	0.797	1.518	-1.160
H13	-0.963	1.548	1.198
H14	-0.963	1.548	-1.198

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0143	1.4637	1.4637	2.3512	2.3512	2.1500	2.1500	2.1171	2.1171	2.8797	2.8797	3.2678	3.2678
H2	1.0143		2.0704	2.0704	3.2678	3.2678	2.4110	2.4110	2.5201	2.5201	3.8296	3.8296	4.0813	4.0813
C3	1.4637	2.0704		2.3230	1.5427	2.4484	1.1060	2.7204	1.0946	3.2910	2.1802	3.1850	2.1937	3.2218
C4	1.4637	2.0704	2.3230		2.4484	1.5427	2.7204	1.1060	3.2910	1.0946	3.1850	2.1802	3.2218	2.1937
C5	2.3512	3.2678	1.5427	2.4484		1.5561	2.1796	2.9815	2.2145	3.3700	1.0928	2.1922	1.0927	2.2190
C6	2.3512	3.2678	2.4484	1.5427	1.5561		2.9815	2.1796	3.3700	2.2145	2.1922	1.0928	2.2190	1.0927
H7	2.1500	2.4110	1.1060	2.7204	2.1796	2.9815		2.6593	1.7753	3.7655	3.0324	3.9201	2.3675	3.4611
H8	2.1500	2.4110	2.7204	1.1060	2.9815	2.1796	2.6593		3.7655	1.7753	3.9201	3.0324	3.4611	2.3675
H9	2.1171	2.5201	1.0946	3.2910	2.2145	3.3700	1.7753	3.7655		4.1466	2.4015	3.9231	2.7873	4.2082
H10	2.1171	2.5201	3.2910	1.0946	3.3700	2.2145	3.7655	1.7753	4.1466		3.9231	2.4015	4.2082	2.7873
H11	2.8797	3.8296	2.1802	3.1850	1.0928	2.1922	3.0324	3.9201	2.4015	3.9231		2.3209	1.7610	2.9435
H12	2.8797	3.8296	3.1850	2.1802	2.1922	1.0928	3.9201	3.0324	3.9231	2.4015	2.3209		2.9435	1.7610
H13	3.2678	4.0813	2.1937	3.2218	1.0927	2.2190	2.3675	3.4611	2.7873	4.2082	1.7610	2.9435		2.3970
H14	3.2678	4.0813	3.2218	2.1937	2.2190	1.0927	3.4611	2.3675	4.2082	2.7873	2.9435	1.7610	2.3970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.866	N1	C3	H7	112.840
N1	C3	H9	110.872	N1	C4	C6	102.866
N1	C4	H8	112.840	N1	C4	H10	110.872
H2	N1	C3	112.064	H2	N1	C4	112.064
C3	N1	C4	105.032	C3	C5	C6	104.391
C3	C5	H11	110.467	C3	C5	H13	111.547
C4	C6	C5	104.391	C4	C6	H12	110.467
C4	C6	H14	111.547	C5	C3	H7	109.650
C5	C3	H9	113.120	C5	C6	H12	110.480
C5	C6	H14	112.628	C6	C4	H8	109.650
C6	C4	H10	113.120	C6	C5	H11	110.480
C6	C5	H13	112.628	H7	C3	H9	107.558
H8	C4	H10	107.558	H11	C5	H13	107.365
H12	C6	H14	107.365

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: B3LYP/6-31G(2df,p)

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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Number	Element	Mulliken
1	N	-0.285
2	H	0.213
3	C	-0.151
4	C	-0.151
5	C	-0.183
6	C	-0.183
7	H	0.073
8	H	0.073
9	H	0.095
10	H	0.095
11	H	0.106
12	H	0.106
13	H	0.095
14	H	0.095

	x	y	z	Total
	-0.808	-0.218	0.000	0.837
CHELPG
AIM
ESP

	x	y	z
x	6.495	-0.089	0.000
y	-0.089	7.377	0.000
z	0.000	0.000	7.822

<r²>	109.349
(<r²>)^1/2	10.457

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)