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	hartrees
Energy at 0K	-36.772367
Energy at 298.15K	-36.783988
Nuclear repulsion energy	106.368556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3775	3445	0.31
2	A'	3252	2968	151.80
3	A'	3226	2944	1.55
4	A'	3193	2913	84.93
5	A'	3084	2814	186.86
6	A'	1672	1526	0.55
7	A'	1650	1506	5.29
8	A'	1525	1392	2.66
9	A'	1437	1312	2.37
10	A'	1355	1236	0.27
11	A'	1329	1213	11.29
12	A'	1164	1062	0.76
13	A'	1072	979	4.59
14	A'	1007	919	11.95
15	A'	952	869	1.38
16	A'	894	816	35.36
17	A'	805	735	56.02
18	A'	596	543	107.63
19	A'	262	239	5.56
20	A"	3230	2947	56.01
21	A"	3213	2932	55.64
22	A"	3173	2895	45.69
23	A"	3077	2808	59.37
24	A"	1657	1512	0.57
25	A"	1633	1490	1.16
26	A"	1586	1448	10.26
27	A"	1465	1336	0.05
28	A"	1438	1312	35.11
29	A"	1365	1246	4.91
30	A"	1316	1201	0.25
31	A"	1243	1134	14.42
32	A"	1213	1106	5.14
33	A"	1004	916	0.44
34	A"	943	860	2.27
35	A"	699	638	1.60
36	A"	25	23	0.18

Atom	x (Å)	y (Å)	z (Å)
N1	0.476	-1.130	0.000
H2	0.438	-2.129	0.000
C3	-0.086	-0.464	1.188
C4	-0.086	-0.464	-1.188
C5	-0.086	1.031	0.781
C6	-0.086	1.031	-0.781
H7	-1.105	-0.799	1.406
H8	-1.105	-0.799	-1.406
H9	0.524	-0.660	2.062
H10	0.524	-0.660	-2.062
H11	0.804	1.523	1.158
H12	0.804	1.523	-1.158
H13	-0.944	1.554	1.190
H14	-0.944	1.554	-1.190

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0000	1.4729	1.4729	2.3652	2.3652	2.1414	2.1414	2.1153	2.1153	2.9126	2.9126	3.2613	3.2613
H2	1.0000		2.1113	2.1113	3.2969	3.2969	2.4754	2.4754	2.5332	2.5332	3.8482	3.8482	4.1100	4.1100
C3	1.4729	2.1113		2.3751	1.5491	2.4718	1.0947	2.8064	1.0838	3.3119	2.1769	3.1999	2.1928	3.2346
C4	1.4729	2.1113	2.3751		2.4718	1.5491	2.8064	1.0947	3.3119	1.0838	3.1999	2.1769	3.2346	2.1928
C5	2.3652	3.2969	1.5491	2.4718		1.5621	2.1855	3.0279	2.2070	3.3634	1.0844	2.1894	1.0853	2.2129
C6	2.3652	3.2969	2.4718	1.5491	1.5621		3.0279	2.1855	3.3634	2.2070	2.1894	1.0844	2.2129	1.0853
H7	2.1414	2.4754	1.0947	2.8064	2.1855	3.0279		2.8114	1.7616	3.8336	3.0157	3.9504	2.3679	3.5071
H8	2.1414	2.4754	2.8064	1.0947	3.0279	2.1855	2.8114		3.8336	1.7616	3.9504	3.0157	3.5071	2.3679
H9	2.1153	2.5332	1.0838	3.3119	2.2070	3.3634	1.7616	3.8336		4.1237	2.3787	3.8999	2.7957	4.1992
H10	2.1153	2.5332	3.3119	1.0838	3.3634	2.2070	3.8336	1.7616	4.1237		3.8999	2.3787	4.1992	2.7957
H11	2.9126	3.8482	2.1769	3.1999	1.0844	2.1894	3.0157	3.9504	2.3787	3.8999		2.3160	1.7490	2.9279
H12	2.9126	3.8482	3.1999	2.1769	2.1894	1.0844	3.9504	3.0157	3.8999	2.3787	2.3160		2.9279	1.7490
H13	3.2613	4.1100	2.1928	3.2346	1.0853	2.2129	2.3679	3.5071	2.7957	4.1992	1.7490	2.9279		2.3806
H14	3.2613	4.1100	3.2346	2.1928	2.2129	1.0853	3.5071	2.3679	4.1992	2.7957	2.9279	1.7490	2.3806

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.983	N1	C3	H7	112.187
N1	C3	H9	110.732	N1	C4	C6	102.983
N1	C4	H8	112.187	N1	C4	H10	110.732
H2	N1	C3	115.931	H2	N1	C4	115.931
C3	N1	C4	107.462	C3	C5	C6	105.213
C3	C5	H11	110.261	C3	C5	H13	111.471
C4	C6	C5	105.213	C4	C6	H12	110.261
C4	C6	H14	111.471	C5	C3	H7	110.332
C5	C3	H9	112.716	C5	C6	H12	110.341
C5	C6	H14	112.154	C6	C4	H8	110.332
C6	C4	H10	112.716	C6	C5	H11	110.341
C6	C5	H13	112.154	H7	C3	H9	107.919
H8	C4	H10	107.919	H11	C5	H13	107.434
H12	C6	H14	107.434

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	-0.517
2	H	0.276
3	C	-0.141
4	C	-0.141
5	C	-0.258
6	C	-0.258
7	H	0.111
8	H	0.111
9	H	0.139
10	H	0.139
11	H	0.143
12	H	0.143
13	H	0.126
14	H	0.126

	x	y	z	Total
	-1.133	-0.182	0.000	1.148
CHELPG
AIM
ESP

	x	y	z
x	6.427	0.057	0.000
y	0.057	7.111	0.000
z	0.000	0.000	7.600

<r²>	94.564
(<r²>)^1/2	9.724

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)