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	hartrees
Energy at 0K	-211.572664
Energy at 298.15K	-211.584020
HF Energy	-211.049256
Nuclear repulsion energy	187.485168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3538	3394	0.85
2	A'	3103	2978	73.25
3	A'	3076	2951	5.24
4	A'	3051	2928	44.48
5	A'	2930	2811	124.82
6	A'	1583	1519	1.04
7	A'	1563	1499	3.39
8	A'	1430	1372	0.98
9	A'	1351	1296	2.36
10	A'	1261	1210	0.84
11	A'	1245	1194	6.30
12	A'	1093	1049	1.41
13	A'	1020	979	8.56
14	A'	947	908	0.75
15	A'	899	862	0.66
16	A'	854	819	38.12
17	A'	766	735	47.16
18	A'	568	545	93.75
19	A'	260	249	5.19
20	A"	3083	2958	10.24
21	A"	3068	2944	49.77
22	A"	3040	2917	20.43
23	A"	2926	2808	39.24
24	A"	1569	1505	1.40
25	A"	1547	1485	1.01
26	A"	1491	1431	5.67
27	A"	1369	1314	0.08
28	A"	1339	1285	22.57
29	A"	1282	1230	4.63
30	A"	1224	1174	0.03
31	A"	1153	1106	10.84
32	A"	1124	1079	3.96
33	A"	942	904	0.28
34	A"	890	854	2.53
35	A"	652	626	1.19
36	A"	13	12	0.21

Atom	x (Å)	y (Å)	z (Å)
N1	0.499	-1.127	0.000
H2	0.445	-2.145	0.000
C3	-0.098	-0.470	1.193
C4	-0.098	-0.470	-1.193
C5	-0.098	1.036	0.787
C6	-0.098	1.036	-0.787
H7	-1.138	-0.808	1.398
H8	-1.138	-0.808	-1.398
H9	0.509	-0.670	2.089
H10	0.509	-0.670	-2.089
H11	0.807	1.533	1.169
H12	0.807	1.533	-1.169
H13	-0.971	1.564	1.201
H14	-0.971	1.564	-1.201

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0195	1.4873	1.4873	2.3775	2.3775	2.1754	2.1754	2.1386	2.1386	2.9219	2.9219	3.2935	3.2935
H2	1.0195		2.1275	2.1275	3.3214	3.3214	2.4991	2.4991	2.5585	2.5585	3.8764	3.8764	4.1484	4.1484
C3	1.4873	2.1275		2.3865	1.5592	2.4873	1.1124	2.8122	1.1005	3.3440	2.1975	3.2265	2.2134	3.2609
C4	1.4873	2.1275	2.3865		2.4873	1.5592	2.8122	1.1124	3.3440	1.1005	3.2265	2.1975	3.2609	2.2134
C5	2.3775	3.3214	1.5592	2.4873		1.5736	2.2032	3.0419	2.2300	3.3982	1.1011	2.2118	1.1017	2.2349
C6	2.3775	3.3214	2.4873	1.5592	1.5736		3.0419	2.2032	3.3982	2.2300	2.2118	1.1011	2.2349	1.1017
H7	2.1754	2.4991	1.1124	2.8122	2.2032	3.0419		2.7955	1.7914	3.8586	3.0519	3.9814	2.3864	3.5230
H8	2.1754	2.4991	2.8122	1.1124	3.0419	2.2032	2.7955		3.8586	1.7914	3.9814	3.0519	3.5230	2.3864
H9	2.1386	2.5585	1.1005	3.3440	2.2300	3.3982	1.7914	3.8586		4.1783	2.4054	3.9442	2.8232	4.2437
H10	2.1386	2.5585	3.3440	1.1005	3.3982	2.2300	3.8586	1.7914	4.1783		3.9442	2.4054	4.2437	2.8232
H11	2.9219	3.8764	2.1975	3.2265	1.1011	2.2118	3.0519	3.9814	2.4054	3.9442		2.3385	1.7788	2.9636
H12	2.9219	3.8764	3.2265	2.1975	2.2118	1.1011	3.9814	3.0519	3.9442	2.4054	2.3385		2.9636	1.7788
H13	3.2935	4.1484	2.2134	3.2609	1.1017	2.2349	2.3864	3.5230	2.8232	4.2437	1.7788	2.9636		2.4027
H14	3.2935	4.1484	3.2609	2.2134	2.2349	1.1017	3.5230	2.3864	4.2437	2.8232	2.9636	1.7788	2.4027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.571	N1	C3	H7	112.815
N1	C3	H9	110.577	N1	C4	C6	102.571
N1	C4	H8	112.815	N1	C4	H10	110.577
H2	N1	C3	114.855	H2	N1	C4	114.855
C3	N1	C4	106.702	C3	C5	C6	105.111
C3	C5	H11	110.203	C3	C5	H13	111.415
C4	C6	C5	105.111	C4	C6	H12	110.203
C4	C6	H14	111.415	C5	C3	H7	109.986
C5	C3	H9	112.815	C5	C6	H12	110.325
C5	C6	H14	112.103	C6	C4	H8	109.986
C6	C4	H10	112.815	C6	C5	H11	110.325
C6	C5	H13	112.103	H7	C3	H9	108.095
H8	C4	H10	108.095	H11	C5	H13	107.704
H12	C6	H14	107.704

All results from a given calculation for C₄H₉N (Pyrrolidine)

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

using model chemistry: CCD/6-31G

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)