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	hartrees
Energy at 0K	-211.422220
Energy at 298.15K	-211.433588
Nuclear repulsion energy	188.275215

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3429	3299	2.53
2	A'	3150	3030	49.18
3	A'	3106	2988	12.20
4	A'	3092	2975	34.42
5	A'	2944	2832	134.03
6	A'	1585	1524	1.93
7	A'	1557	1498	5.01
8	A'	1413	1360	0.14
9	A'	1345	1294	3.54
10	A'	1249	1202	3.05
11	A'	1244	1196	1.58
12	A'	1071	1030	0.80
13	A'	1018	979	8.12
14	A'	930	895	0.68
15	A'	881	848	0.98
16	A'	837	805	25.81
17	A'	735	707	47.05
18	A'	551	530	93.53
19	A'	281	271	4.54
20	A"	3127	3009	0.80
21	A"	3096	2979	70.49
22	A"	3086	2968	3.80
23	A"	2937	2825	45.66
24	A"	1566	1507	1.42
25	A"	1539	1481	1.38
26	A"	1459	1403	3.00
27	A"	1365	1313	0.05
28	A"	1336	1285	18.64
29	A"	1279	1230	11.35
30	A"	1213	1167	0.01
31	A"	1130	1088	6.53
32	A"	1093	1051	10.75
33	A"	916	881	0.50
34	A"	886	852	3.51
35	A"	649	625	1.30
36	A"	35	34	0.16

Atom	x (Å)	y (Å)	z (Å)
N1	0.537	-1.107	0.000
H2	0.477	-2.130	0.000
C3	-0.106	-0.474	1.180
C4	-0.106	-0.474	-1.180
C5	-0.106	1.032	0.786
C6	-0.106	1.032	-0.786
H7	-1.147	-0.808	1.342
H8	-1.147	-0.808	-1.342
H9	0.473	-0.669	2.087
H10	0.473	-0.669	-2.087
H11	0.801	1.515	1.158
H12	0.801	1.515	-1.158
H13	-0.977	1.549	1.196
H14	-0.977	1.549	-1.196

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0247	1.4861	1.4861	2.3682	2.3682	2.1743	2.1743	2.1338	2.1338	2.8789	2.8789	3.2834	3.2834
H2	1.0247		2.1158	2.1158	3.3102	3.3102	2.4870	2.4870	2.5478	2.5478	3.8386	3.8386	4.1330	4.1330
C3	1.4861	2.1158		2.3610	1.5566	2.4768	1.1058	2.7491	1.0935	3.3245	2.1857	3.2011	2.2025	3.2405
C4	1.4861	2.1158	2.3610		2.4768	1.5566	2.7491	1.1058	3.3245	1.0935	3.2011	2.1857	3.2405	2.2025
C5	2.3682	3.3102	1.5566	2.4768		1.5720	2.1864	2.9997	2.2190	3.3892	1.0924	2.1990	1.0929	2.2262
C6	2.3682	3.3102	2.4768	1.5566	1.5720		2.9997	2.1864	3.3892	2.2190	2.1990	1.0924	2.2262	1.0929
H7	2.1743	2.4870	1.1058	2.7491	2.1864	2.9997		2.6832	1.7891	3.7951	3.0373	3.9296	2.3680	3.4682
H8	2.1743	2.4870	2.7491	1.1058	2.9997	2.1864	2.6832		3.7951	1.7891	3.9296	3.0373	3.4682	2.3680
H9	2.1338	2.5478	1.0935	3.3245	2.2190	3.3892	1.7891	3.7951		4.1748	2.3963	3.9261	2.7959	4.2199
H10	2.1338	2.5478	3.3245	1.0935	3.3892	2.2190	3.7951	1.7891	4.1748		3.9261	2.3963	4.2199	2.7959
H11	2.8789	3.8386	2.1857	3.2011	1.0924	2.1990	3.0373	3.9296	2.3963	3.9261		2.3169	1.7780	2.9505
H12	2.8789	3.8386	3.2011	2.1857	2.1990	1.0924	3.9296	3.0373	3.9261	2.3963	2.3169		2.9505	1.7780
H13	3.2834	4.1330	2.2025	3.2405	1.0929	2.2262	2.3680	3.4682	2.7959	4.2199	1.7780	2.9505		2.3930
H14	3.2834	4.1330	3.2405	2.2025	2.2262	1.0929	3.4682	2.3680	4.2199	2.7959	2.9505	1.7780	2.3930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.187	N1	C3	H7	113.228
N1	C3	H9	110.703	N1	C4	C6	102.187
N1	C4	H8	113.228	N1	C4	H10	110.703
H2	N1	C3	113.577	H2	N1	C4	113.577
C3	N1	C4	105.189	C3	C5	C6	104.680
C3	C5	H11	109.954	C3	C5	H13	111.253
C4	C6	C5	104.680	C4	C6	H12	109.954
C4	C6	H14	111.253	C5	C3	H7	109.240
C5	C3	H9	112.538	C5	C6	H12	109.934
C5	C6	H14	112.063	C6	C4	H8	109.240
C6	C4	H10	112.538	C6	C5	H11	109.934
C6	C5	H13	112.063	H7	C3	H9	108.877
H8	C4	H10	108.877	H11	C5	H13	108.900
H12	C6	H14	108.900

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: B3LYP/3-21G*

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	-0.557
2	H	0.264
3	C	-0.222
4	C	-0.222
5	C	-0.374
6	C	-0.374
7	H	0.160
8	H	0.160
9	H	0.193
10	H	0.193
11	H	0.203
12	H	0.203
13	H	0.186
14	H	0.186

	x	y	z	Total
	-0.933	-0.289	0.000	0.976
CHELPG
AIM
ESP

	x	y	z
x	5.937	0.144	0.000
y	0.144	6.692	0.000
z	0.000	0.000	7.180

<r²>	110.845
(<r²>)^1/2	10.528

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)