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	hartrees
Energy at 0K	-36.761650
Energy at 298.15K	-36.773230
Nuclear repulsion energy	106.174544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3824	3447	0.04
2	A'	3313	2986	206.05
3	A'	3280	2957	4.40
4	A'	3253	2932	108.94
5	A'	3148	2837	227.04
6	A'	1675	1510	1.33
7	A'	1649	1487	5.30
8	A'	1533	1382	1.66
9	A'	1444	1302	2.93
10	A'	1358	1225	0.12
11	A'	1328	1198	10.79
12	A'	1169	1054	1.06
13	A'	1070	964	4.52
14	A'	1011	911	13.11
15	A'	956	862	1.27
16	A'	889	801	37.81
17	A'	793	715	52.79
18	A'	592	534	121.82
19	A'	263	237	5.47
20	A"	3287	2963	42.16
21	A"	3265	2943	84.21
22	A"	3233	2914	57.84
23	A"	3141	2831	75.14
24	A"	1660	1497	0.94
25	A"	1631	1470	1.02
26	A"	1588	1431	11.03
27	A"	1472	1327	0.07
28	A"	1448	1305	33.19
29	A"	1370	1235	4.93
30	A"	1314	1185	0.00
31	A"	1241	1118	13.73
32	A"	1208	1089	3.23
33	A"	1009	909	0.47
34	A"	940	847	2.87
35	A"	698	629	1.25
36	A"	28	25	0.17

Atom	x (Å)	y (Å)	z (Å)
N1	0.476	-1.128	0.000
H2	0.466	-2.131	0.000
C3	-0.087	-0.466	1.189
C4	-0.087	-0.466	-1.189
C5	-0.087	1.033	0.783
C6	-0.087	1.033	-0.783
H7	-1.109	-0.801	1.409
H8	-1.109	-0.801	-1.409
H9	0.525	-0.662	2.065
H10	0.525	-0.662	-2.065
H11	0.807	1.523	1.159
H12	0.807	1.523	-1.159
H13	-0.947	1.558	1.194
H14	-0.947	1.558	-1.194

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0031	1.4730	1.4730	2.3662	2.3662	2.1459	2.1459	2.1175	2.1175	2.9121	2.9121	3.2659	3.2659
H2	1.0031		2.1196	2.1196	3.3058	3.3058	2.4968	2.4968	2.5350	2.5350	3.8486	3.8486	4.1269	4.1269
C3	1.4730	2.1196		2.3783	1.5529	2.4768	1.0976	2.8120	1.0866	3.3171	2.1810	3.2047	2.1990	3.2428
C4	1.4730	2.1196	2.3783		2.4768	1.5529	2.8120	1.0976	3.3171	1.0866	3.2047	2.1810	3.2428	2.1990
C5	2.3662	3.3058	1.5529	2.4768		1.5654	2.1909	3.0351	2.2116	3.3699	1.0874	2.1934	1.0885	2.2189
C6	2.3662	3.3058	2.4768	1.5529	1.5654		3.0351	2.1909	3.3699	2.2116	2.1934	1.0874	2.2189	1.0885
H7	2.1459	2.4968	1.0976	2.8120	2.1909	3.0351		2.8183	1.7666	3.8419	3.0227	3.9585	2.3744	3.5169
H8	2.1459	2.4968	2.8120	1.0976	3.0351	2.1909	2.8183		3.8419	1.7666	3.9585	3.0227	3.5169	2.3744
H9	2.1175	2.5350	1.0866	3.3171	2.2116	3.3699	1.7666	3.8419		4.1300	2.3818	3.9047	2.8025	4.2093
H10	2.1175	2.5350	3.3171	1.0866	3.3699	2.2116	3.8419	1.7666	4.1300		3.9047	2.3818	4.2093	2.8025
H11	2.9121	3.8486	2.1810	3.2047	1.0874	2.1934	3.0227	3.9585	2.3818	3.9047		2.3182	1.7555	2.9357
H12	2.9121	3.8486	3.2047	2.1810	2.1934	1.0874	3.9585	3.0227	3.9047	2.3818	2.3182		2.9357	1.7555
H13	3.2659	4.1269	2.1990	3.2428	1.0885	2.2189	2.3744	3.5169	2.8025	4.2093	1.7555	2.9357		2.3884
H14	3.2659	4.1269	3.2428	2.1990	2.2189	1.0885	3.5169	2.3744	4.2093	2.8025	2.9357	1.7555	2.3884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.853	N1	C3	H7	112.366
N1	C3	H9	110.733	N1	C4	C6	102.853
N1	C4	H8	112.366	N1	C4	H10	110.733
H2	N1	C3	116.455	H2	N1	C4	116.455
C3	N1	C4	107.664	C3	C5	C6	105.175
C3	C5	H11	110.143	C3	C5	H13	111.505
C4	C6	C5	105.175	C4	C6	H12	110.143
C4	C6	H14	111.505	C5	C3	H7	110.322
C5	C3	H9	112.640	C5	C6	H12	110.253
C5	C6	H14	112.215	C6	C4	H8	110.322
C6	C4	H10	112.640	C6	C5	H11	110.253
C6	C5	H13	112.215	H7	C3	H9	107.953
H8	C4	H10	107.953	H11	C5	H13	107.570
H12	C6	H14	107.570

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: HF/CEP-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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Number	Element	Mulliken
1	N	-0.478
2	H	0.278
3	C	-0.146
4	C	-0.146
5	C	-0.161
6	C	-0.161
7	H	0.066
8	H	0.066
9	H	0.145
10	H	0.145
11	H	0.096
12	H	0.096
13	H	0.101
14	H	0.101

	x	y	z	Total
	-1.238	-0.186	0.000	1.252
CHELPG
AIM
ESP

	x	y	z
x	5.578	0.136	0.000
y	0.136	6.853	0.000
z	0.000	0.000	7.110

<r²>	94.737
(<r²>)^1/2	9.733

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: HF/CEP-31G

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)