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	hartrees
Energy at 0K	-211.172585
Energy at 298.15K	-211.184310
Nuclear repulsion energy	191.113608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3780	3423	1.09
2	A'	3253	2946	92.67
3	A'	3220	2916	12.97
4	A'	3204	2901	56.00
5	A'	3097	2804	139.78
6	A'	1661	1504	0.62
7	A'	1631	1476	1.85
8	A'	1532	1388	4.75
9	A'	1439	1303	1.12
10	A'	1365	1236	2.64
11	A'	1333	1207	9.97
12	A'	1143	1035	0.49
13	A'	1072	971	3.95
14	A'	1011	916	12.24
15	A'	960	869	18.52
16	A'	945	855	38.82
17	A'	826	748	21.41
18	A'	619	561	43.38
19	A'	300	272	3.50
20	A"	3229	2924	7.77
21	A"	3210	2907	108.86
22	A"	3192	2890	12.51
23	A"	3090	2798	41.59
24	A"	1642	1487	3.89
25	A"	1608	1456	0.14
26	A"	1577	1428	8.38
27	A"	1451	1314	9.79
28	A"	1432	1297	20.06
29	A"	1358	1230	4.82
30	A"	1314	1190	0.30
31	A"	1235	1118	12.13
32	A"	1196	1083	3.52
33	A"	992	898	0.00
34	A"	934	846	2.42
35	A"	683	618	0.93
36	A"	60	54	0.12

Atom	x (Å)	y (Å)	z (Å)
N1	0.510	-1.101	0.000
H2	0.390	-2.092	0.000
C3	-0.098	-0.466	1.156
C4	-0.098	-0.466	-1.156
C5	-0.098	1.021	0.775
C6	-0.098	1.021	-0.775
H7	-1.123	-0.807	1.327
H8	-1.123	-0.807	-1.327
H9	0.471	-0.671	2.057
H10	0.471	-0.671	-2.057
H11	0.794	1.507	1.153
H12	0.794	1.507	-1.153
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		0.9980	1.4523	1.4523	2.3399	2.3399	2.1247	2.1247	2.1017	2.1017	2.8658	2.8658	3.2472	3.2472
H2	0.9980		2.0534	2.0534	3.2451	3.2451	2.3875	2.3875	2.5011	2.5011	3.8006	3.8006	4.0528	4.0528
C3	1.4523	2.0534		2.3128	1.5361	2.4379	1.0939	2.7084	1.0847	3.2697	2.1656	3.1660	2.1831	3.2057
C4	1.4523	2.0534	2.3128		2.4379	1.5361	2.7084	1.0939	3.2697	1.0847	3.1660	2.1656	3.2057	2.1831
C5	2.3399	3.2451	1.5361	2.4379		1.5496	2.1678	2.9686	2.1985	3.3479	1.0837	2.1790	1.0840	2.2062
C6	2.3399	3.2451	2.4379	1.5361	1.5496		2.9686	2.1678	3.3479	2.1985	2.1790	1.0837	2.2062	1.0840
H7	2.1247	2.3875	1.0939	2.7084	2.1678	2.9686		2.6543	1.7585	3.7433	3.0100	3.8964	2.3591	3.4481
H8	2.1247	2.3875	2.7084	1.0939	2.9686	2.1678	2.6543		3.7433	1.7585	3.8964	3.0100	3.4481	2.3591
H9	2.1017	2.5011	1.0847	3.2697	2.1985	3.3479	1.7585	3.7433		4.1139	2.3804	3.8928	2.7705	4.1806
H10	2.1017	2.5011	3.2697	1.0847	3.3479	2.1985	3.7433	1.7585	4.1139		3.8928	2.3804	4.1806	2.7705
H11	2.8658	3.8006	2.1656	3.1660	1.0837	2.1790	3.0100	3.8964	2.3804	3.8928		2.3063	1.7474	2.9238
H12	2.8658	3.8006	3.1660	2.1656	2.1790	1.0837	3.8964	3.0100	3.8928	2.3804	2.3063		2.9238	1.7474
H13	3.2472	4.0528	2.1831	3.2057	1.0840	2.2062	2.3591	3.4481	2.7705	4.1806	1.7474	2.9238		2.3826
H14	3.2472	4.0528	3.2057	2.1831	2.2062	1.0840	3.4481	2.3591	4.1806	2.7705	2.9238	1.7474	2.3826

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	103.036	N1	C3	H7	112.357
N1	C3	H9	111.049	N1	C4	C6	103.036
N1	C4	H8	112.357	N1	C4	H10	111.049
H2	N1	C3	112.546	H2	N1	C4	112.546
C3	N1	C4	105.548	C3	C5	C6	104.384
C3	C5	H11	110.314	C3	C5	H13	111.703
C4	C6	C5	104.384	C4	C6	H12	110.314
C4	C6	H14	111.703	C5	C3	H7	109.891
C5	C3	H9	112.913	C5	C6	H12	110.434
C5	C6	H14	112.597	C6	C4	H8	109.891
C6	C4	H10	112.913	C6	C5	H11	110.434
C6	C5	H13	112.597	H7	C3	H9	107.646
H8	C4	H10	107.646	H11	C5	H13	107.437
H12	C6	H14	107.437

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: HF/6-31G(2df,p)

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	-0.468
2	H	0.253
3	C	-0.129
4	C	-0.129
5	C	-0.243
6	C	-0.243
7	H	0.097
8	H	0.097
9	H	0.125
10	H	0.125
11	H	0.132
12	H	0.132
13	H	0.124
14	H	0.124

	x	y	z	Total
	-0.943	-0.206	0.000	0.966
CHELPG
AIM
ESP

	x	y	z
x	6.198	-0.058	0.000
y	-0.058	6.992	0.000
z	0.000	0.000	7.377

<r²>	108.407
(<r²>)^1/2	10.412

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: HF/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)