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	hartrees
Energy at 0K	-211.184677
Energy at 298.15K	-211.196087
HF Energy	-211.184677
Nuclear repulsion energy	189.157137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3485	3357	0.58
2	A'	3179	3062	38.64
3	A'	3130	3016	9.25
4	A'	3116	3001	32.26
5	A'	2966	2857	125.80
6	A'	1580	1522	2.59
7	A'	1551	1494	8.17
8	A'	1417	1365	0.11
9	A'	1351	1302	4.97
10	A'	1255	1209	5.16
11	A'	1254	1208	0.07
12	A'	1088	1048	1.07
13	A'	1030	992	5.69
14	A'	952	917	1.47
15	A'	904	871	1.43
16	A'	848	817	32.84
17	A'	740	713	47.62
18	A'	555	534	98.66
19	A'	289	278	4.73
20	A"	3156	3040	0.30
21	A"	3122	3008	58.04
22	A"	3108	2994	6.92
23	A"	2960	2852	43.75
24	A"	1560	1503	0.30
25	A"	1531	1474	2.14
26	A"	1465	1412	5.58
27	A"	1367	1317	0.10
28	A"	1341	1292	21.34
29	A"	1284	1237	10.20
30	A"	1218	1173	0.04
31	A"	1136	1094	11.77
32	A"	1119	1078	3.94
33	A"	937	903	0.72
34	A"	893	860	3.19
35	A"	651	628	1.04
36	A"	27	26	0.16

Atom	x (Å)	y (Å)	z (Å)
N1	0.518	-1.111	0.000
H2	0.452	-2.130	0.000
C3	-0.101	-0.469	1.177
C4	-0.101	-0.469	-1.177
C5	-0.101	1.026	0.781
C6	-0.101	1.026	-0.781
H7	-1.145	-0.794	1.357
H8	-1.145	-0.794	-1.357
H9	0.481	-0.658	2.086
H10	0.481	-0.658	-2.086
H11	0.805	1.511	1.155
H12	0.805	1.511	-1.155
H13	-0.969	1.548	1.196
H14	-0.969	1.548	-1.196

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0221	1.4770	1.4770	2.3581	2.3581	2.1697	2.1697	2.1346	2.1346	2.8793	2.8793	3.2724	3.2724
H2	1.0221		2.1101	2.1101	3.2988	3.2988	2.4851	2.4851	2.5533	2.5533	3.8369	3.8369	4.1204	4.1204
C3	1.4770	2.1101		2.3548	1.5470	2.4643	1.1077	2.7603	1.0951	3.3200	2.1778	3.1913	2.1955	3.2332
C4	1.4770	2.1101	2.3548		2.4643	1.5470	2.7603	1.1077	3.3200	1.0951	3.1913	2.1778	3.2332	2.1955
C5	2.3581	3.2988	1.5470	2.4643		1.5625	2.1760	2.9960	2.2086	3.3757	1.0939	2.1925	1.0940	2.2214
C6	2.3581	3.2988	2.4643	1.5470	1.5625		2.9960	2.1760	3.3757	2.2086	2.1925	1.0939	2.2214	1.0940
H7	2.1697	2.4851	1.1077	2.7603	2.1760	2.9960		2.7144	1.7864	3.8097	3.0261	3.9280	2.3538	3.4690
H8	2.1697	2.4851	2.7603	1.1077	2.9960	2.1760	2.7144		3.8097	1.7864	3.9280	3.0261	3.4690	2.3538
H9	2.1346	2.5533	1.0951	3.3200	2.2086	3.3757	1.7864	3.8097		4.1714	2.3825	3.9135	2.7853	4.2115
H10	2.1346	2.5533	3.3200	1.0951	3.3757	2.2086	3.8097	1.7864	4.1714		3.9135	2.3825	4.2115	2.7853
H11	2.8793	3.8369	2.1778	3.1913	1.0939	2.1925	3.0261	3.9280	2.3825	3.9135		2.3107	1.7751	2.9460
H12	2.8793	3.8369	3.1913	2.1778	2.1925	1.0939	3.9280	3.0261	3.9135	2.3825	2.3107		2.9460	1.7751
H13	3.2724	4.1204	2.1955	3.2332	1.0940	2.2214	2.3538	3.4690	2.7853	4.2115	1.7751	2.9460		2.3923
H14	3.2724	4.1204	3.2332	2.1955	2.2214	1.0940	3.4690	2.3538	4.2115	2.7853	2.9460	1.7751	2.3923

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.459	N1	C3	H7	113.389
N1	C3	H9	111.307	N1	C4	C6	102.459
N1	C4	H8	113.389	N1	C4	H10	111.307
H2	N1	C3	113.958	H2	N1	C4	113.958
C3	N1	C4	105.720	C3	C5	C6	104.839
C3	C5	H11	109.918	C3	C5	H13	111.312
C4	C6	C5	104.839	C4	C6	H12	109.918
C4	C6	H14	111.312	C5	C3	H7	108.979
C5	C3	H9	112.292	C5	C6	H12	110.000
C5	C6	H14	112.288	C6	C4	H8	108.979
C6	C4	H10	112.292	C6	C5	H11	110.000
C6	C5	H13	112.288	H7	C3	H9	108.377
H8	C4	H10	108.377	H11	C5	H13	108.451
H12	C6	H14	108.451

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: HSEh1PBE/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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All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: HSEh1PBE/3-21G

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)