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	hartrees
Energy at 0K	-212.375012
Energy at 298.15K	-212.386432
HF Energy	-212.375012
Nuclear repulsion energy	189.771441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3445	3404	0.12
2	A'	3051	3014	49.99
3	A'	3011	2974	16.22
4	A'	2998	2961	34.56
5	A'	2849	2814	151.64
6	A'	1477	1459	0.87
7	A'	1452	1434	5.84
8	A'	1343	1327	0.77
9	A'	1269	1254	1.18
10	A'	1201	1186	1.29
11	A'	1183	1168	5.47
12	A'	1042	1030	0.51
13	A'	979	967	1.59
14	A'	923	912	4.53
15	A'	889	878	1.38
16	A'	848	838	53.91
17	A'	740	731	29.18
18	A'	562	555	50.33
19	A'	296	292	3.75
20	A"	3030	2993	0.08
21	A"	3003	2967	88.27
22	A"	2992	2956	2.53
23	A"	2846	2811	52.02
24	A"	1458	1440	0.16
25	A"	1435	1417	0.93
26	A"	1388	1371	6.35
27	A"	1279	1264	2.60
28	A"	1259	1244	16.30
29	A"	1203	1188	6.18
30	A"	1159	1145	0.28
31	A"	1099	1085	14.63
32	A"	1073	1060	0.77
33	A"	915	904	0.29
34	A"	848	837	3.00
35	A"	620	612	0.74
36	A"	91	90	0.05

Atom	x (Å)	y (Å)	z (Å)
N1	0.534	-1.102	0.000
H2	0.415	-2.117	0.000
C3	-0.102	-0.468	1.161
C4	-0.102	-0.468	-1.161
C5	-0.102	1.025	0.778
C6	-0.102	1.025	-0.778
H7	-1.147	-0.813	1.314
H8	-1.147	-0.813	-1.314
H9	0.460	-0.678	2.083
H10	0.460	-0.678	-2.083
H11	0.802	1.515	1.161
H12	0.802	1.515	-1.161
H13	-0.968	1.551	1.200
H14	-0.968	1.551	-1.200

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0215	1.4682	1.4682	2.3523	2.3523	2.1534	2.1534	2.1265	2.1265	2.8760	2.8760	3.2767	3.2767
H2	1.0215		2.0818	2.0818	3.2773	3.2773	2.4221	2.4221	2.5314	2.5314	3.8327	3.8327	4.0995	4.0995
C3	1.4682	2.0818		2.3226	1.5412	2.4471	1.1110	2.7090	1.0993	3.2988	2.1794	3.1851	2.1972	3.2255
C4	1.4682	2.0818	2.3226		2.4471	1.5412	2.7090	1.1110	3.2988	1.0993	3.1851	2.1794	3.2255	2.1972
C5	2.3523	3.2773	1.5412	2.4471		1.5555	2.1810	2.9740	2.2177	3.3759	1.0974	2.1948	1.0977	2.2225
C6	2.3523	3.2773	2.4471	1.5412	1.5555		2.9740	2.1810	3.3759	2.2177	2.1948	1.0974	2.2225	1.0977
H7	2.1534	2.4221	1.1110	2.7090	2.1810	2.9740		2.6283	1.7862	3.7600	3.0399	3.9173	2.3736	3.4560
H8	2.1534	2.4221	2.7090	1.1110	2.9740	2.1810	2.6283		3.7600	1.7862	3.9173	3.0399	3.4560	2.3736
H9	2.1265	2.5314	1.0993	3.2988	2.2177	3.3759	1.7862	3.7600		4.1650	2.4035	3.9308	2.7904	4.2173
H10	2.1265	2.5314	3.2988	1.0993	3.3759	2.2177	3.7600	1.7862	4.1650		3.9308	2.4035	4.2173	2.7904
H11	2.8760	3.8327	2.1794	3.1851	1.0974	2.1948	3.0399	3.9173	2.4035	3.9308		2.3228	1.7699	2.9511
H12	2.8760	3.8327	3.1851	2.1794	2.1948	1.0974	3.9173	3.0399	3.9308	2.4035	2.3228		2.9511	1.7699
H13	3.2767	4.0995	2.1972	3.2255	1.0977	2.2225	2.3736	3.4560	2.7904	4.2173	1.7699	2.9511		2.4008
H14	3.2767	4.0995	3.2255	2.1972	2.2225	1.0977	3.4560	2.3736	4.2173	2.7904	2.9511	1.7699	2.4008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.796	N1	C3	H7	112.478
N1	C3	H9	111.021	N1	C4	C6	102.796
N1	C4	H8	112.478	N1	C4	H10	111.021
H2	N1	C3	112.234	H2	N1	C4	112.234
C3	N1	C4	104.553	C3	C5	C6	104.411
C3	C5	H11	110.241	C3	C5	H13	111.635
C4	C6	C5	104.411	C4	C6	H12	110.241
C4	C6	H14	111.635	C5	C3	H7	109.567
C5	C3	H9	113.190	C5	C6	H12	110.463
C5	C6	H14	112.648	C6	C4	H8	109.567
C6	C4	H10	113.190	C6	C5	H11	110.463
C6	C5	H13	112.648	H7	C3	H9	107.823
H8	C4	H10	107.823	H11	C5	H13	107.469
H12	C6	H14	107.469

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: PBEPBE/Def2TZVPP

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	-0.236
2	H	0.125
3	C	-0.083
4	C	-0.083
5	C	-0.120
6	C	-0.120
7	H	0.056
8	H	0.056
9	H	0.072
10	H	0.072
11	H	0.069
12	H	0.069
13	H	0.062
14	H	0.062

	x	y	z
x	7.674	-0.099	0.000
y	-0.099	8.667	0.000
z	0.000	0.000	9.135

<r²>	109.822
(<r²>)^1/2	10.480

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)