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	hartrees
Energy at 0K	-209.975079
Energy at 298.15K	-209.986653
Nuclear repulsion energy	189.719258

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3756	3390	2.47
2	A	3289	2969	60.05
3	A	3275	2956	21.93
4	A	3251	2935	49.68
5	A	3234	2919	40.87
6	A	3230	2916	28.20
7	A	3223	2909	30.97
8	A	3191	2880	64.33
9	A	3139	2834	83.31
10	A	1704	1538	1.18
11	A	1691	1526	4.10
12	A	1656	1495	3.22
13	A	1644	1484	4.49
14	A	1586	1432	7.06
15	A	1523	1375	0.76
16	A	1482	1338	1.29
17	A	1478	1334	3.79
18	A	1447	1306	24.49
19	A	1380	1245	2.71
20	A	1370	1237	3.44
21	A	1315	1187	3.93
22	A	1296	1170	3.01
23	A	1245	1124	13.88
24	A	1180	1065	17.81
25	A	1114	1006	1.78
26	A	1069	965	4.62
27	A	977	882	3.30
28	A	964	870	3.21
29	A	943	851	2.17
30	A	934	843	0.96
31	A	907	819	0.70
32	A	786	709	27.14
33	A	624	563	2.10
34	A	501	452	140.28
35	A	276	249	1.17
36	A	78	71	3.29

Atom	x (Å)	y (Å)	z (Å)
N1	0.061	-1.220	-0.167
H2	0.162	-2.136	0.225
C3	1.248	-0.337	-0.067
C4	-1.166	-0.488	0.191
C5	0.659	1.077	0.198
C6	-0.817	0.947	-0.243
H7	1.915	-0.632	0.737
H8	-1.380	-0.506	1.260
H9	1.806	-0.357	-0.995
H10	-2.020	-0.884	-0.341
H11	1.191	1.849	-0.340
H12	-0.890	1.022	-1.320
H13	0.699	1.303	1.257
H14	-1.457	1.690	0.214

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0009	1.4834	1.4731	2.4014	2.3399	2.1448	2.1499	2.1154	2.1150	3.2753	2.6947	2.9667	3.3047
H2	1.0009		2.1218	2.1165	3.2506	3.2681	2.3657	2.4705	2.7119	2.5781	4.1540	3.6693	3.6298	4.1542
C3	1.4834	2.1218		2.4325	1.5543	2.4385	1.0852	2.9489	1.0823	3.3249	2.2035	2.8265	2.1779	3.3923
C4	1.4731	2.1165	2.4325		2.4031	1.5387	3.1316	1.0897	3.2021	1.0817	3.3608	2.1537	2.7961	2.1972
C5	2.4014	3.2506	1.5543	2.4031		1.5459	2.1877	2.7902	2.1897	3.3628	1.0814	2.1696	1.0837	2.2031
C6	2.3399	3.2681	2.4385	1.5387	1.5459		3.3040	2.1641	3.0245	2.1927	2.2036	1.0825	2.1624	1.0817
H7	2.1448	2.3657	1.0852	3.1316	2.1877	3.3040		3.3380	1.7567	4.0873	2.7996	3.8514	2.3430	4.1272
H8	2.1499	2.4705	2.9489	1.0897	2.7902	2.1641	3.3380		3.9054	1.7649	3.8355	3.0377	2.7553	2.4333
H9	2.1154	2.7119	1.0823	3.2021	2.1897	3.0245	1.7567	3.9054		3.9167	2.3820	3.0457	3.0084	4.0373
H10	2.1150	2.5781	3.3249	1.0817	3.3628	2.1927	4.0873	1.7649	3.9167		4.2162	2.4219	3.8377	2.6926
H11	3.2753	4.1540	2.2035	3.3608	1.0814	2.2036	2.7996	3.8355	2.3820	4.2162		2.4445	1.7583	2.7100
H12	2.6947	3.6693	2.8265	2.1537	2.1696	1.0825	3.8514	3.0377	3.0457	2.4219	2.4445		3.0410	1.7668
H13	2.9667	3.6298	2.1779	2.7961	1.0837	2.1624	2.3430	2.7553	3.0084	3.8377	1.7583	3.0410		2.4266
H14	3.3047	4.1542	3.3923	2.1972	2.2031	1.0817	4.1272	2.4333	4.0373	2.6926	2.7100	1.7668	2.4266

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	104.447	N1	C3	H7	112.303
N1	C3	H9	110.086	N1	C4	C6	101.929
N1	C4	H8	113.197	N1	C4	H10	110.822
H2	N1	C3	115.957	H2	N1	C4	116.321
C3	N1	C4	110.719	C3	C5	C6	103.729
C3	C5	H11	112.201	C3	C5	H13	110.019
C4	C6	C5	102.347	C4	C6	H12	109.257
C4	C6	H14	112.802	C5	C3	H7	110.702
C5	C3	H9	111.027	C5	C6	H12	110.018
C5	C6	H14	112.759	C6	C4	H8	109.661
C6	C4	H10	112.426	C6	C5	H11	112.815
C6	C5	H13	109.380	H7	C3	H9	108.278
H8	C4	H10	108.742	H11	C5	H13	108.607
H12	C6	H14	109.447

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: HF/3-21G*

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	CHELPG
1	N	-0.740	-0.003
2	H	0.305	0.005
3	C	-0.163	0.229
4	C	-0.167	-0.003
5	C	-0.455	0.005
6	C	-0.429	0.229
7	H	0.189	0.035
8	H	0.176	0.005
9	H	0.210	-0.041
10	H	0.212	0.035
11	H	0.215	0.005
12	H	0.226	-0.041
13	H	0.213	-0.835
14	H	0.207	0.376

	x	y	z	Total
	0.099	0.314	1.099	1.147
CHELPG	1.066	-0.231	0.000	1.091
AIM
ESP

	x	y	z
x	5.686	0.100	0.000
y	0.100	6.449	0.000
z	0.000	0.000	6.862

<r²>	110.207
(<r²>)^1/2	10.498

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: HF/3-21G*

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)