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	hartrees
Energy at 0K	-211.185311
Energy at 298.15K	-211.197055
Nuclear repulsion energy	191.190490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3790	3427	0.59
2	A'	3260	2948	130.11
3	A'	3234	2925	5.38
4	A'	3216	2908	73.39
5	A'	3104	2807	180.85
6	A'	1674	1514	0.44
7	A'	1644	1487	3.31
8	A'	1540	1393	2.97
9	A'	1450	1311	1.87
10	A'	1375	1243	3.11
11	A'	1346	1217	11.29
12	A'	1148	1038	0.53
13	A'	1080	977	6.27
14	A'	1017	920	16.68
15	A'	967	875	40.24
16	A'	952	861	25.06
17	A'	833	754	22.36
18	A'	624	565	45.43
19	A'	307	277	4.85
20	A"	3237	2928	45.43
21	A"	3223	2915	88.81
22	A"	3201	2895	23.47
23	A"	3096	2800	42.35
24	A"	1656	1498	2.72
25	A"	1621	1466	0.34
26	A"	1594	1442	9.96
27	A"	1462	1322	9.61
28	A"	1443	1305	21.72
29	A"	1370	1239	5.10
30	A"	1324	1197	0.19
31	A"	1241	1122	10.42
32	A"	1202	1087	4.24
33	A"	996	901	0.06
34	A"	941	851	2.39
35	A"	686	620	1.19
36	A"	56	51	0.15

Atom	x (Å)	y (Å)	z (Å)
N1	0.513	-1.100	0.000
H2	0.392	-2.090	0.000
C3	-0.098	-0.466	1.156
C4	-0.098	-0.466	-1.156
C5	-0.098	1.021	0.774
C6	-0.098	1.021	-0.774
H7	-1.123	-0.810	1.323
H8	-1.123	-0.810	-1.323
H9	0.469	-0.672	2.056
H10	0.469	-0.672	-2.056
H11	0.793	1.506	1.154
H12	0.793	1.506	-1.154
H13	-0.952	1.542	1.191
H14	-0.952	1.542	-1.191

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		0.9975	1.4528	1.4528	2.3390	2.3390	2.1233	2.1233	2.1004	2.1004	2.8639	2.8639	3.2472	3.2472
H2	0.9975		2.0526	2.0526	3.2432	3.2432	2.3836	2.3836	2.4989	2.4989	3.7981	3.7981	4.0518	4.0518
C3	1.4528	2.0526		2.3111	1.5350	2.4363	1.0935	2.7036	1.0835	3.2675	2.1642	3.1650	2.1823	3.2044
C4	1.4528	2.0526	2.3111		2.4363	1.5350	2.7036	1.0935	3.2675	1.0835	3.1650	2.1642	3.2044	2.1823
C5	2.3390	3.2432	1.5350	2.4363		1.5487	2.1687	2.9665	2.1972	3.3459	1.0832	2.1789	1.0836	2.2054
C6	2.3390	3.2432	2.4363	1.5350	1.5487		2.9665	2.1687	3.3459	2.1972	2.1789	1.0832	2.2054	1.0836
H7	2.1233	2.3836	1.0935	2.7036	2.1687	2.9665		2.6452	1.7576	3.7370	3.0105	3.8946	2.3621	3.4469
H8	2.1233	2.3836	2.7036	1.0935	2.9665	2.1687	2.6452		3.7370	1.7576	3.8946	3.0105	3.4469	2.3621
H9	2.1004	2.4989	1.0835	3.2675	2.1972	3.3459	1.7576	3.7370		4.1116	2.3793	3.8923	2.7686	4.1786
H10	2.1004	2.4989	3.2675	1.0835	3.3459	2.1972	3.7370	1.7576	4.1116		3.8923	2.3793	4.1786	2.7686
H11	2.8639	3.7981	2.1642	3.1650	1.0832	2.1789	3.0105	3.8946	2.3793	3.8923		2.3079	1.7454	2.9231
H12	2.8639	3.7981	3.1650	2.1642	2.1789	1.0832	3.8946	3.0105	3.8923	2.3793	2.3079		2.9231	1.7454
H13	3.2472	4.0518	2.1823	3.2044	1.0836	2.2054	2.3621	3.4469	2.7686	4.1786	1.7454	2.9231		2.3824
H14	3.2472	4.0518	3.2044	2.1823	2.2054	1.0836	3.4469	2.3621	4.1786	2.7686	2.9231	1.7454	2.3824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	103.009	N1	C3	H7	112.225
N1	C3	H9	110.977	N1	C4	C6	103.009
N1	C4	H8	112.225	N1	C4	H10	110.977
H2	N1	C3	112.468	H2	N1	C4	112.468
C3	N1	C4	105.385	C3	C5	C6	104.379
C3	C5	H11	110.310	C3	C5	H13	111.730
C4	C6	C5	104.379	C4	C6	H12	110.310
C4	C6	H14	111.730	C5	C3	H7	110.055
C5	C3	H9	112.953	C5	C6	H12	110.513
C5	C6	H14	112.622	C6	C4	H8	110.055
C6	C4	H10	112.953	C6	C5	H11	110.513
C6	C5	H13	112.622	H7	C3	H9	107.670
H8	C4	H10	107.670	H11	C5	H13	107.322
H12	C6	H14	107.322

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: HF/6-311G*

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	ESP
1	N	-0.625	-0.031	0.002
2	H	0.318	-0.017	0.009
3	C	-0.238	0.262	0.178
4	C	-0.238	-0.031	0.002
5	C	-0.424	-0.017	0.009
6	C	-0.424	0.262	0.178
7	H	0.181	0.001	0.037
8	H	0.181	-0.028	0.010
9	H	0.206	0.033	-0.047
10	H	0.206	0.001	0.037
11	H	0.218	-0.028	0.010
12	H	0.218	0.033	-0.047
13	H	0.210	-0.793	-0.712
14	H	0.210	0.354	0.334

	x	y	z	Total
	-1.042	-0.238	0.000	1.069
CHELPG
AIM
ESP	1.042	-0.231	0.000	1.067

	x	y	z
x	6.306	0.040	0.000
y	0.040	7.093	0.000
z	0.000	0.000	7.481

<r²>	108.581
(<r²>)^1/2	10.420

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)