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	hartrees
Energy at 0K	-36.869083
Energy at 298.15K	-36.880835
Nuclear repulsion energy	106.966156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3761	3397	0.71
2	A'	3269	2953	142.96
3	A'	3242	2929	3.47
4	A'	3221	2910	82.66
5	A'	3114	2813	188.47
6	A'	1670	1509	0.25
7	A'	1642	1483	2.33
8	A'	1532	1384	6.05
9	A'	1446	1307	1.08
10	A'	1365	1234	2.89
11	A'	1336	1207	12.14
12	A'	1142	1032	0.40
13	A'	1070	967	6.64
14	A'	1009	912	19.08
15	A'	970	877	52.28
16	A'	952	860	15.53
17	A'	829	749	21.31
18	A'	621	561	41.36
19	A'	305	276	5.27
20	A"	3247	2934	47.90
21	A"	3233	2920	88.90
22	A"	3205	2895	34.77
23	A"	3106	2806	44.97
24	A"	1653	1493	3.60
25	A"	1619	1462	0.44
26	A"	1578	1426	6.99
27	A"	1456	1315	18.40
28	A"	1433	1294	18.90
29	A"	1360	1228	5.77
30	A"	1312	1185	0.47
31	A"	1231	1112	10.56
32	A"	1191	1076	4.56
33	A"	992	896	0.04
34	A"	933	843	2.34
35	A"	678	612	1.35
36	A"	73	66	0.18

Atom	x (Å)	y (Å)	z (Å)
N1	0.531	-1.105	0.000
H2	0.395	-2.099	0.000
C3	-0.091	-0.468	1.161
C4	-0.091	-0.468	-1.161
C5	-0.091	1.027	0.778
C6	-0.091	1.027	-0.778
H7	-1.118	-0.814	1.320
H8	-1.118	-0.814	-1.320
H9	0.473	-0.674	2.065
H10	0.473	-0.674	-2.065
H11	0.801	1.513	1.158
H12	0.801	1.513	-1.158
H13	-0.949	1.547	1.196
H14	-0.949	1.547	-1.196

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0026	1.4635	1.4635	2.3538	2.3538	2.1325	2.1325	2.1109	2.1109	2.8760	2.8760	3.2641	3.2641
H2	1.0026		2.0602	2.0602	3.2578	3.2578	2.3837	2.3837	2.5104	2.5104	3.8148	3.8148	4.0653	4.0653
C3	1.4635	2.0602		2.3219	1.5431	2.4485	1.0954	2.7075	1.0858	3.2819	2.1728	3.1781	2.1899	3.2168
C4	1.4635	2.0602	2.3219		2.4485	1.5431	2.7075	1.0954	3.2819	1.0858	3.1781	2.1728	3.2168	2.1899
C5	2.3538	3.2578	1.5431	2.4485		1.5565	2.1769	2.9746	2.2066	3.3613	1.0853	2.1872	1.0859	2.2138
C6	2.3538	3.2578	2.4485	1.5431	1.5565		2.9746	2.1769	3.3613	2.2066	2.1872	1.0853	2.2138	1.0859
H7	2.1325	2.3837	1.0954	2.7075	2.1769	2.9746		2.6404	1.7626	3.7435	3.0213	3.9045	2.3708	3.4546
H8	2.1325	2.3837	2.7075	1.0954	2.9746	2.1769	2.6404		3.7435	1.7626	3.9045	3.0213	3.4546	2.3708
H9	2.1109	2.5104	1.0858	3.2819	2.2066	3.3613	1.7626	3.7435		4.1309	2.3904	3.9095	2.7767	4.1938
H10	2.1109	2.5104	3.2819	1.0858	3.3613	2.2066	3.7435	1.7626	4.1309		3.9095	2.3904	4.1938	2.7767
H11	2.8760	3.8148	2.1728	3.1781	1.0853	2.1872	3.0213	3.9045	2.3904	3.9095		2.3168	1.7507	2.9334
H12	2.8760	3.8148	3.1781	2.1728	2.1872	1.0853	3.9045	3.0213	3.9095	2.3904	2.3168		2.9334	1.7507
H13	3.2641	4.0653	2.1899	3.2168	1.0859	2.2138	2.3708	3.4546	2.7767	4.1938	1.7507	2.9334		2.3912
H14	3.2641	4.0653	3.2168	2.1899	2.2138	1.0859	3.4546	2.3708	4.1938	2.7767	2.9334	1.7507	2.3912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	103.024	N1	C3	H7	112.096
N1	C3	H9	110.922	N1	C4	C6	103.024
N1	C4	H8	112.096	N1	C4	H10	110.922
H2	N1	C3	111.958	H2	N1	C4	111.958
C3	N1	C4	104.987	C3	C5	C6	104.360
C3	C5	H11	110.300	C3	C5	H13	111.629
C4	C6	C5	104.360	C4	C6	H12	110.300
C4	C6	H14	111.629	C5	C3	H7	110.029
C5	C3	H9	112.990	C5	C6	H12	110.505
C5	C6	H14	112.602	C6	C4	H8	110.029
C6	C4	H10	112.990	C6	C5	H11	110.505
C6	C5	H13	112.602	H7	C3	H9	107.815
H8	C4	H10	107.815	H11	C5	H13	107.472
H12	C6	H14	107.472

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: HF/CEP-121G*

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	-0.510
2	H	0.313
3	C	-0.200
4	C	-0.200
5	C	-0.321
6	C	-0.321
7	H	0.127
8	H	0.127
9	H	0.173
10	H	0.173
11	H	0.162
12	H	0.162
13	H	0.158
14	H	0.158

	x	y	z	Total
	-1.144	-0.209	0.000	1.163
CHELPG
AIM
ESP

	x	y	z
x	6.534	0.028	0.000
y	0.028	7.257	0.000
z	0.000	0.000	7.683

<r²>	93.331
(<r²>)^1/2	9.661

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: HF/CEP-121G*

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)