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	hartrees
Energy at 0K	-212.400410
Energy at 298.15K	-212.411715
Nuclear repulsion energy	187.210022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3416	3390	5.39
2	A'	3053	3030	80.41
3	A'	3015	2992	11.30
4	A'	2999	2976	53.77
5	A'	2828	2807	190.19
6	A'	1531	1519	0.93
7	A'	1512	1500	2.73
8	A'	1375	1364	2.50
9	A'	1297	1287	1.83
10	A'	1211	1202	0.31
11	A'	1200	1191	3.75
12	A'	1044	1036	0.86
13	A'	984	976	4.97
14	A'	911	904	1.71
15	A'	866	859	0.54
16	A'	817	811	17.77
17	A'	716	711	48.54
18	A'	535	531	115.39
19	A'	265	263	3.78
20	A"	3030	3007	2.25
21	A"	3006	2984	90.85
22	A"	2991	2968	13.90
23	A"	2817	2796	70.30
24	A"	1517	1505	3.26
25	A"	1498	1487	0.64
26	A"	1422	1411	2.06
27	A"	1323	1313	0.00
28	A"	1287	1278	21.08
29	A"	1234	1225	8.82
30	A"	1178	1169	0.17
31	A"	1118	1110	7.80
32	A"	1072	1064	15.48
33	A"	904	897	0.13
34	A"	866	860	5.08
35	A"	636	631	1.28
36	A"	62	62	0.16

Atom	x (Å)	y (Å)	z (Å)
N1	0.504	-1.124	0.000
H2	0.466	-2.150	0.000
C3	-0.099	-0.472	1.193
C4	-0.099	-0.472	-1.193
C5	-0.099	1.037	0.789
C6	-0.099	1.037	-0.789
H7	-1.145	-0.805	1.398
H8	-1.145	-0.805	-1.398
H9	0.503	-0.677	2.093
H10	0.503	-0.677	-2.093
H11	0.806	1.537	1.170
H12	0.806	1.537	-1.170
H13	-0.973	1.563	1.206
H14	-0.973	1.563	-1.206

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0260	1.4874	1.4874	2.3789	2.3789	2.1854	2.1854	2.1406	2.1406	2.9227	2.9227	3.2954	3.2954
H2	1.0260		2.1349	2.1349	3.3316	3.3316	2.5215	2.5215	2.5596	2.5596	3.8826	3.8826	4.1607	4.1607
C3	1.4874	2.1349		2.3857	1.5621	2.4910	1.1173	2.8139	1.1023	3.3471	2.2029	3.2307	2.2146	3.2651
C4	1.4874	2.1349	2.3857		2.4910	1.5621	2.8139	1.1173	3.3471	1.1023	3.2307	2.2029	3.2651	2.2146
C5	2.3789	3.3316	1.5621	2.4910		1.5781	2.2048	3.0451	2.2368	3.4073	1.1017	2.2154	1.1022	2.2411
C6	2.3789	3.3316	2.4910	1.5621	1.5781		3.0451	2.2048	3.4073	2.2368	2.2154	1.1017	2.2411	1.1022
H7	2.1854	2.5215	1.1173	2.8139	2.2048	3.0451		2.7956	1.7934	3.8627	3.0569	3.9861	2.3823	3.5243
H8	2.1854	2.5215	2.8139	1.1173	3.0451	2.2048	2.7956		3.8627	1.7934	3.9861	3.0569	3.5243	2.3823
H9	2.1406	2.5596	1.1023	3.3471	2.2368	3.4073	1.7934	3.8627		4.1867	2.4176	3.9554	2.8256	4.2527
H10	2.1406	2.5596	3.3471	1.1023	3.4073	2.2368	3.8627	1.7934	4.1867		3.9554	2.4176	4.2527	2.8256
H11	2.9227	3.8826	2.2029	3.2307	1.1017	2.2154	3.0569	3.9861	2.4176	3.9554		2.3410	1.7799	2.9692
H12	2.9227	3.8826	3.2307	2.2029	2.2154	1.1017	3.9861	3.0569	3.9554	2.4176	2.3410		2.9692	1.7799
H13	3.2954	4.1607	2.2146	3.2651	1.1022	2.2411	2.3823	3.5243	2.8256	4.2527	1.7799	2.9692		2.4128
H14	3.2954	4.1607	3.2651	2.2146	2.2411	1.1022	3.5243	2.3823	4.2527	2.8256	2.9692	1.7799	2.4128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.511	N1	C3	H7	113.307
N1	C3	H9	110.615	N1	C4	C6	102.511
N1	C4	H8	113.307	N1	C4	H10	110.615
H2	N1	C3	115.059	H2	N1	C4	115.059
C3	N1	C4	106.635	C3	C5	C6	104.981
C3	C5	H11	110.376	C3	C5	H13	111.274
C4	C6	C5	104.981	C4	C6	H12	110.376
C4	C6	H14	111.274	C5	C3	H7	109.626
C5	C3	H9	113.038	C5	C6	H12	110.257
C5	C6	H14	112.251	C6	C4	H8	109.626
C6	C4	H10	113.038	C6	C5	H11	110.257
C6	C5	H13	112.251	H7	C3	H9	107.795
H8	C4	H10	107.795	H11	C5	H13	107.722
H12	C6	H14	107.722

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: BLYP/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	-0.516
2	H	0.251
3	C	-0.088
4	C	-0.088
5	C	-0.214
6	C	-0.214
7	H	0.087
8	H	0.087
9	H	0.117
10	H	0.117
11	H	0.123
12	H	0.123
13	H	0.107
14	H	0.107

	x	y	z	Total
	-0.869	-0.271	0.000	0.911
CHELPG
AIM
ESP

<r²>	112.318
(<r²>)^1/2	10.598

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: BLYP/6-31G

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)