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	hartrees
Energy at 0K	-210.489317
Energy at 298.15K	-210.500696
HF Energy	-209.971512
Nuclear repulsion energy	187.254470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3425	3330	3.11
2	A	3134	3047	46.05
3	A	3114	3027	7.23
4	A	3096	3010	21.04
5	A	3084	2998	34.12
6	A	3078	2992	29.05
7	A	3070	2985	16.10
8	A	2978	2895	63.61
9	A	2960	2878	59.57
10	A	1602	1558	1.95
11	A	1585	1541	1.68
12	A	1575	1531	3.21
13	A	1558	1515	2.24
14	A	1473	1432	3.10
15	A	1426	1387	0.49
16	A	1386	1348	1.62
17	A	1362	1324	7.11
18	A	1323	1286	10.24
19	A	1311	1275	8.06
20	A	1255	1221	3.01
21	A	1248	1214	3.68
22	A	1229	1195	0.11
23	A	1136	1105	6.23
24	A	1092	1062	7.22
25	A	1070	1040	4.68
26	A	1026	998	11.18
27	A	930	905	0.84
28	A	913	887	0.04
29	A	890	865	3.58
30	A	877	853	1.70
31	A	831	808	24.71
32	A	779	757	31.75
33	A	630	613	12.11
34	A	561	546	66.51
35	A	275	268	4.82
36	A	27	26	0.88

Atom	x (Å)	y (Å)	z (Å)
N1	0.060	-1.199	-0.336
H2	0.144	-2.177	-0.037
C3	1.238	-0.368	0.099
C4	-1.144	-0.515	0.239
C5	0.693	1.110	0.038
C6	-0.861	0.961	-0.158
H7	1.562	-0.594	1.131
H8	-1.216	-0.600	1.340
H9	2.083	-0.528	-0.581
H10	-2.063	-0.907	-0.215
H11	1.141	1.666	-0.794
H12	-1.116	1.095	-1.216
H13	0.921	1.637	0.973
H14	-1.430	1.677	0.448

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0258	1.5061	1.4998	2.4233	2.3553	2.1858	2.1910	2.1457	2.1461	3.0966	2.7244	3.2402	3.3329
H2	1.0258		2.1183	2.1209	3.3329	3.2972	2.4253	2.4971	2.6029	2.5523	4.0416	3.6994	4.0208	4.1911
C3	1.5061	2.1183		2.3906	1.5756	2.4974	1.1053	2.7599	1.0970	3.3589	2.2231	3.0675	2.2094	3.3789
C4	1.4998	2.1209	2.3906		2.4610	1.5542	2.8512	1.1074	3.3300	1.0969	3.3239	2.1703	3.0715	2.2205
C5	2.4233	3.3329	1.5756	2.4610		1.5740	2.2029	2.8752	2.2351	3.4244	1.0964	2.2011	1.0974	2.2354
C6	2.3553	3.2972	2.4974	1.5542	1.5740		3.1550	2.1925	3.3265	2.2216	2.2167	1.0966	2.2163	1.0967
H7	2.1858	2.4253	1.1053	2.8512	2.2029	3.1550		2.7867	1.7910	3.8797	2.9983	3.9416	2.3264	3.8179
H8	2.1910	2.4971	2.7599	1.1074	2.8752	2.1925	2.7867		3.8190	1.7973	3.9051	3.0691	3.1155	2.4550
H9	2.1457	2.6029	1.0970	3.3300	2.2351	3.3265	1.7910	3.8190		4.1792	2.3967	3.6430	2.9071	4.2732
H10	2.1461	2.5523	3.3589	1.0969	3.4244	2.2216	3.8797	1.7973	4.1792		4.1500	2.4306	4.0969	2.7420
H11	3.0966	4.0416	2.2231	3.3239	1.0964	2.2167	2.9983	3.9051	2.3967	4.1500		2.3664	1.7808	2.8554
H12	2.7244	3.6994	3.0675	2.1703	2.2011	1.0966	3.9416	3.0691	3.6430	2.4306	2.3664		3.0386	1.7904
H13	3.2402	4.0208	2.2094	3.0715	1.0974	2.2163	2.3264	3.1155	2.9071	4.0969	1.7808	3.0386		2.4087
H14	3.3329	4.1911	3.3789	2.2205	2.2354	1.0967	3.8179	2.4550	4.2732	2.7420	2.8554	1.7904	2.4087

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	103.671	N1	C3	H7	112.754
N1	C3	H9	110.042	N1	C4	C6	100.914
N1	C4	H8	113.499	N1	C4	H10	110.518
H2	N1	C3	112.187	H2	N1	C4	112.883
C3	N1	C4	105.366	C3	C5	C6	104.923
C3	C5	H11	111.352	C3	C5	H13	110.210
C4	C6	C5	103.759	C4	C6	H12	108.687
C4	C6	H14	112.640	C5	C3	H7	109.256
C5	C3	H9	112.271	C5	C6	H12	109.724
C5	C6	H14	112.421	C6	C4	H8	109.789
C6	C4	H10	112.727	C6	C5	H11	110.954
C6	C5	H13	110.860	H7	C3	H9	108.827
H8	C4	H10	109.251	H11	C5	H13	108.535
H12	C6	H14	109.431

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: CCD/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: CCD/3-21G

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)