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	hartrees
Energy at 0K	-212.521641
Energy at 298.15K	-212.533039
Nuclear repulsion energy	188.764287

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3557	3422	0.88
2	A'	3134	3014	73.82
3	A'	3097	2979	9.43
4	A'	3079	2962	50.78
5	A'	2924	2812	170.42
6	A'	1573	1513	1.05
7	A'	1551	1492	4.10
8	A'	1419	1365	1.37
9	A'	1338	1287	2.36
10	A'	1254	1206	0.16
11	A'	1241	1194	5.31
12	A'	1085	1044	0.86
13	A'	1014	976	3.93
14	A'	949	913	5.02
15	A'	900	866	0.80
16	A'	840	808	18.36
17	A'	738	710	46.82
18	A'	545	524	128.47
19	A'	262	252	4.15
20	A"	3111	2993	2.34
21	A"	3089	2972	79.89
22	A"	3069	2953	15.93
23	A"	2915	2804	62.86
24	A"	1559	1499	1.81
25	A"	1537	1478	1.02
26	A"	1474	1418	5.11
27	A"	1367	1315	0.24
28	A"	1331	1281	24.97
29	A"	1275	1227	7.53
30	A"	1219	1173	0.00
31	A"	1157	1113	11.42
32	A"	1130	1087	9.88
33	A"	942	906	0.17
34	A"	894	860	3.84
35	A"	659	634	1.23
36	A"	49	47	0.15

Atom	x (Å)	y (Å)	z (Å)
N1	0.484	-1.119	0.000
H2	0.473	-2.134	0.000
C3	-0.096	-0.467	1.185
C4	-0.096	-0.467	-1.185
C5	-0.096	1.029	0.782
C6	-0.096	1.029	-0.782
H7	-1.132	-0.797	1.399
H8	-1.132	-0.797	-1.399
H9	0.509	-0.668	2.075
H10	0.509	-0.668	-2.075
H11	0.803	1.525	1.161
H12	0.803	1.525	-1.161
H13	-0.963	1.554	1.197
H14	-0.963	1.554	-1.197

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0152	1.4714	1.4714	2.3588	2.3588	2.1615	2.1615	2.1232	2.1232	2.9051	2.9051	3.2663	3.2663
H2	1.0152		2.1230	2.1230	3.3082	3.3082	2.5144	2.5144	2.5405	2.5405	3.8530	3.8530	4.1346	4.1346
C3	1.4714	2.1230		2.3699	1.5499	2.4717	1.1083	2.8035	1.0946	3.3214	2.1857	3.2062	2.1991	3.2415
C4	1.4714	2.1230	2.3699		2.4717	1.5499	2.8035	1.1083	3.3214	1.0946	3.2062	2.1857	3.2415	2.1991
C5	2.3588	3.3082	1.5499	2.4717		1.5643	2.1886	3.0277	2.2179	3.3778	1.0943	2.1976	1.0947	2.2231
C6	2.3588	3.3082	2.4717	1.5499	1.5643		3.0277	2.1886	3.3778	2.2179	2.1976	1.0943	2.2231	1.0947
H7	2.1615	2.5144	1.1083	2.8035	2.1886	3.0277		2.7981	1.7795	3.8441	3.0320	3.9610	2.3655	3.5060
H8	2.1615	2.5144	2.8035	1.1083	3.0277	2.1886	2.7981		3.8441	1.7795	3.9610	3.0320	3.5060	2.3655
H9	2.1232	2.5405	1.0946	3.3214	2.2179	3.3778	1.7795	3.8441		4.1494	2.3941	3.9199	2.8063	4.2197
H10	2.1232	2.5405	3.3214	1.0946	3.3778	2.2179	3.8441	1.7795	4.1494		3.9199	2.3941	4.2197	2.8063
H11	2.9051	3.8530	2.1857	3.2062	1.0943	2.1976	3.0320	3.9610	2.3941	3.9199		2.3218	1.7667	2.9459
H12	2.9051	3.8530	3.2062	2.1857	2.1976	1.0943	3.9610	3.0320	3.9199	2.3941	2.3218		2.9459	1.7667
H13	3.2663	4.1346	2.1991	3.2415	1.0947	2.2231	2.3655	3.5060	2.8063	4.2197	1.7667	2.9459		2.3933
H14	3.2663	4.1346	3.2415	2.1991	2.2231	1.0947	3.5060	2.3655	4.2197	2.8063	2.9459	1.7667	2.3933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.621	N1	C3	H7	113.086
N1	C3	H9	110.816	N1	C4	C6	102.621
N1	C4	H8	113.086	N1	C4	H10	110.816
H2	N1	C3	116.030	H2	N1	C4	116.030
C3	N1	C4	107.276	C3	C5	C6	105.064
C3	C5	H11	110.316	C3	C5	H13	111.353
C4	C6	C5	105.064	C4	C6	H12	110.316
C4	C6	H14	111.353	C5	C3	H7	109.729
C5	C3	H9	112.875	C5	C6	H12	110.252
C5	C6	H14	112.250	C6	C4	H8	109.729
C6	C4	H10	112.875	C6	C5	H11	110.252
C6	C5	H13	112.250	H7	C3	H9	107.760
H8	C4	H10	107.760	H11	C5	H13	107.629
H12	C6	H14	107.629

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	-0.576
2	H	0.272
3	C	-0.101
4	C	-0.101
5	C	-0.252
6	C	-0.252
7	H	0.104
8	H	0.104
9	H	0.135
10	H	0.135
11	H	0.141
12	H	0.141
13	H	0.125
14	H	0.125

	x	y	z	Total
	-0.884	-0.266	0.000	0.923
CHELPG
AIM
ESP

	x	y	z
x	6.290	0.156	0.000
y	0.156	6.957	0.000
z	0.000	0.000	7.521

<r²>	110.785
(<r²>)^1/2	10.525

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)