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	hartrees
Energy at 0K	-212.595820
Energy at 298.15K	-212.607327
Nuclear repulsion energy	189.803715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3527	3389	1.32
2	A'	3127	3005	62.25
3	A'	3085	2964	17.88
4	A'	3073	2953	38.72
5	A'	2932	2817	146.92
6	A'	1548	1487	0.87
7	A'	1520	1461	2.63
8	A'	1408	1353	4.10
9	A'	1325	1273	0.87
10	A'	1252	1203	1.27
11	A'	1232	1184	6.37
12	A'	1070	1028	0.80
13	A'	1010	970	3.78
14	A'	947	910	5.31
15	A'	903	867	3.21
16	A'	876	842	57.44
17	A'	768	738	27.46
18	A'	580	557	49.45
19	A'	297	285	4.05
20	A"	3107	2985	0.33
21	A"	3077	2957	94.77
22	A"	3068	2947	3.15
23	A"	2925	2811	48.32
24	A"	1529	1469	2.89
25	A"	1500	1442	0.43
26	A"	1443	1387	4.23
27	A"	1334	1282	6.86
28	A"	1313	1262	18.16
29	A"	1253	1204	7.46
30	A"	1206	1158	0.25
31	A"	1140	1095	11.53
32	A"	1111	1068	3.47
33	A"	933	897	0.05
34	A"	877	842	3.30
35	A"	639	614	0.73
36	A"	80	77	0.15

Atom	x (Å)	y (Å)	z (Å)
N1	0.529	-1.101	0.000
H2	0.406	-2.111	0.000
C3	-0.101	-0.470	1.162
C4	-0.101	-0.470	-1.162
C5	-0.101	1.026	0.778
C6	-0.101	1.026	-0.778
H7	-1.141	-0.810	1.327
H8	-1.141	-0.810	-1.327
H9	0.465	-0.679	2.075
H10	0.465	-0.679	-2.075
H11	0.798	1.517	1.161
H12	0.798	1.517	-1.161
H13	-0.965	1.547	1.199
H14	-0.965	1.547	-1.199

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0167	1.4648	1.4648	2.3510	2.3510	2.1530	2.1530	2.1188	2.1188	2.8769	2.8769	3.2692	3.2692
H2	1.0167		2.0735	2.0735	3.2709	3.2709	2.4178	2.4178	2.5219	2.5219	3.8291	3.8291	4.0866	4.0866
C3	1.4648	2.0735		2.3232	1.5435	2.4494	1.1068	2.7187	1.0952	3.2927	2.1807	3.1856	2.1946	3.2233
C4	1.4648	2.0735	2.3232		2.4494	1.5435	2.7187	1.1068	3.2927	1.0952	3.1856	2.1807	3.2233	2.1946
C5	2.3510	3.2709	1.5435	2.4494		1.5569	2.1802	2.9809	2.2154	3.3720	1.0934	2.1930	1.0936	2.2205
C6	2.3510	3.2709	2.4494	1.5435	1.5569		2.9809	2.1802	3.3720	2.2154	2.1930	1.0934	2.2205	1.0936
H7	2.1530	2.4178	1.1068	2.7187	2.1802	2.9809		2.6543	1.7767	3.7648	3.0338	3.9198	2.3678	3.4603
H8	2.1530	2.4178	2.7187	1.1068	2.9809	2.1802	2.6543		3.7648	1.7767	3.9198	3.0338	3.4603	2.3678
H9	2.1188	2.5219	1.0952	3.2927	2.2154	3.3720	1.7767	3.7648		4.1506	2.4024	3.9250	2.7875	4.2103
H10	2.1188	2.5219	3.2927	1.0952	3.3720	2.2154	3.7648	1.7767	4.1506		3.9250	2.4024	4.2103	2.7875
H11	2.8769	3.8291	2.1807	3.1856	1.0934	2.1930	3.0338	3.9198	2.4024	3.9250		2.3211	1.7633	2.9457
H12	2.8769	3.8291	3.1856	2.1807	2.1930	1.0934	3.9198	3.0338	3.9250	2.4024	2.3211		2.9457	1.7633
H13	3.2692	4.0866	2.1946	3.2233	1.0936	2.2205	2.3678	3.4603	2.7875	4.2103	1.7633	2.9457		2.3989
H14	3.2692	4.0866	3.2233	2.1946	2.2205	1.0936	3.4603	2.3678	4.2103	2.7875	2.9457	1.7633	2.3989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.765	N1	C3	H7	112.962
N1	C3	H9	110.895	N1	C4	C6	102.765
N1	C4	H8	112.962	N1	C4	H10	110.895
H2	N1	C3	112.088	H2	N1	C4	112.088
C3	N1	C4	104.934	C3	C5	C6	104.372
C3	C5	H11	110.424	C3	C5	H13	111.515
C4	C6	C5	104.372	C4	C6	H12	110.424
C4	C6	H14	111.515	C5	C3	H7	109.594
C5	C3	H9	113.101	C5	C6	H12	110.455
C5	C6	H14	112.639	C6	C4	H8	109.594
C6	C4	H10	113.101	C6	C5	H11	110.455
C6	C5	H13	112.639	H7	C3	H9	107.586
H8	C4	H10	107.586	H11	C5	H13	107.466
H12	C6	H14	107.466

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	N	-0.504
2	H	0.232
3	C	-0.041
4	C	-0.041
5	C	-0.190
6	C	-0.190
7	H	0.071
8	H	0.071
9	H	0.095
10	H	0.095
11	H	0.108
12	H	0.108
13	H	0.093
14	H	0.093

	x	y	z	Total
	-0.894	-0.231	0.000	0.924
CHELPG
AIM
ESP

	x	y	z
x	6.389	0.089	0.000
y	0.089	7.164	0.000
z	0.000	0.000	7.642

<r²>	109.453
(<r²>)^1/2	10.462

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: B3LYP/6-31G**

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)