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	hartrees
Energy at 0K	-212.507219
Energy at 298.15K	-212.518621
Nuclear repulsion energy	188.436767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3392	3384	5.31
2	A'	3029	3021	85.72
3	A'	2995	2987	21.30
4	A'	2981	2974	46.44
5	A'	2827	2820	192.57
6	A'	1506	1502	0.50
7	A'	1483	1480	4.68
8	A'	1361	1358	0.92
9	A'	1287	1284	1.28
10	A'	1211	1208	1.58
11	A'	1198	1195	5.13
12	A'	1035	1033	1.68
13	A'	987	984	7.60
14	A'	909	906	1.07
15	A'	867	865	2.24
16	A'	847	845	54.50
17	A'	748	746	34.13
18	A'	568	567	49.24
19	A'	297	296	5.10
20	A"	3007	2999	2.17
21	A"	2986	2978	115.90
22	A"	2976	2968	2.36
23	A"	2820	2813	56.49
24	A"	1488	1484	0.75
25	A"	1466	1462	0.96
26	A"	1404	1401	3.75
27	A"	1299	1296	2.40
28	A"	1274	1271	16.42
29	A"	1221	1217	7.81
30	A"	1170	1167	0.00
31	A"	1099	1096	6.22
32	A"	1058	1055	10.13
33	A"	897	895	0.34
34	A"	852	850	3.79
35	A"	623	622	0.99
36	A"	81	81	0.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.540	-1.110	0.000
H2	0.400	-2.125	0.000
C3	-0.103	-0.472	1.171
C4	-0.103	-0.472	-1.171
C5	-0.103	1.032	0.784
C6	-0.103	1.032	-0.784
H7	-1.148	-0.819	1.333
H8	-1.148	-0.819	-1.333
H9	0.466	-0.682	2.088
H10	0.466	-0.682	-2.088
H11	0.799	1.527	1.169
H12	0.799	1.527	-1.169
H13	-0.971	1.557	1.206
H14	-0.971	1.557	-1.206

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0241	1.4803	1.4803	2.3701	2.3701	2.1705	2.1705	2.1331	2.1331	2.8966	2.8966	3.2941	3.2941
H2	1.0241		2.0871	2.0871	3.2915	3.2915	2.4250	2.4250	2.5391	2.5391	3.8552	3.8552	4.1099	4.1099
C3	1.4803	2.0871		2.3419	1.5530	2.4668	1.1130	2.7358	1.1000	3.3154	2.1933	3.2072	2.2072	3.2437
C4	1.4803	2.0871	2.3419		2.4668	1.5530	2.7358	1.1130	3.3154	1.1000	3.2072	2.1933	3.2437	2.2072
C5	2.3701	3.2915	1.5530	2.4668		1.5684	2.1954	3.0004	2.2279	3.3933	1.0985	2.2077	1.0989	2.2341
C6	2.3701	3.2915	2.4668	1.5530	1.5684		3.0004	2.1954	3.3933	2.2279	2.2077	1.0985	2.2341	1.0989
H7	2.1705	2.4250	1.1130	2.7358	2.1954	3.0004		2.6669	1.7874	3.7860	3.0532	3.9443	2.3858	3.4822
H8	2.1705	2.4250	2.7358	1.1130	3.0004	2.1954	2.6669		3.7860	1.7874	3.9443	3.0532	3.4822	2.3858
H9	2.1331	2.5391	1.1000	3.3154	2.2279	3.3933	1.7874	3.7860		4.1769	2.4160	3.9501	2.8033	4.2349
H10	2.1331	2.5391	3.3154	1.1000	3.3933	2.2279	3.7860	1.7874	4.1769		3.9501	2.4160	4.2349	2.8033
H11	2.8966	3.8552	2.1933	3.2072	1.0985	2.2077	3.0532	3.9443	2.4160	3.9501		2.3381	1.7709	2.9625
H12	2.8966	3.8552	3.2072	2.1933	2.2077	1.0985	3.9443	3.0532	3.9501	2.4160	2.3381		2.9625	1.7709
H13	3.2941	4.1099	2.2072	3.2437	1.0989	2.2341	2.3858	3.4822	2.8033	4.2349	1.7709	2.9625		2.4124
H14	3.2941	4.1099	3.2437	2.2072	2.2341	1.0989	3.4822	2.3858	4.2349	2.8033	2.9625	1.7709	2.4124

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.742	N1	C3	H7	112.871
N1	C3	H9	110.655	N1	C4	C6	102.742
N1	C4	H8	112.871	N1	C4	H10	110.655
H2	N1	C3	111.597	H2	N1	C4	111.597
C3	N1	C4	104.561	C3	C5	C6	104.421
C3	C5	H11	110.445	C3	C5	H13	111.528
C4	C6	C5	104.421	C4	C6	H12	110.445
C4	C6	H14	111.528	C5	C3	H7	109.767
C5	C3	H9	113.122	C5	C6	H12	110.508
C5	C6	H14	112.584	C6	C4	H8	109.767
C6	C4	H10	113.122	C6	C5	H11	110.508
C6	C5	H13	112.584	H7	C3	H9	107.738
H8	C4	H10	107.738	H11	C5	H13	107.392
H12	C6	H14	107.392

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: BLYP/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
1	N	-0.483
2	H	0.283
3	C	-0.262
4	C	-0.262
5	C	-0.384
6	C	-0.384
7	H	0.163
8	H	0.163
9	H	0.191
10	H	0.191
11	H	0.200
12	H	0.200
13	H	0.191
14	H	0.191

	x	y	z	Total
	-0.883	-0.272	0.000	0.924
CHELPG
AIM
ESP

<r²>	111.296
(<r²>)^1/2	10.550

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: BLYP/6-311G*

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)