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	hartrees
Energy at 0K	-212.312264
Energy at 298.15K	-212.323687
Nuclear repulsion energy	189.187125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3460	3421	0.04
2	A'	3065	3030	50.84
3	A'	3023	2989	8.65
4	A'	3010	2976	44.95
5	A'	2852	2819	181.48
6	A'	1482	1465	0.53
7	A'	1458	1441	6.18
8	A'	1344	1328	1.46
9	A'	1274	1260	1.72
10	A'	1206	1192	1.27
11	A'	1183	1170	5.99
12	A'	1044	1032	0.47
13	A'	980	969	2.26
14	A'	925	914	6.38
15	A'	887	877	1.82
16	A'	849	840	66.26
17	A'	745	736	33.85
18	A'	564	558	57.30
19	A'	302	298	4.59
20	A"	3045	3011	0.14
21	A"	3019	2984	77.43
22	A"	3002	2968	14.13
23	A"	2848	2816	59.96
24	A"	1462	1445	0.28
25	A"	1438	1422	0.89
26	A"	1387	1371	8.53
27	A"	1279	1265	7.78
28	A"	1260	1246	14.75
29	A"	1204	1190	5.13
30	A"	1160	1147	0.41
31	A"	1103	1090	12.86
32	A"	1076	1064	0.57
33	A"	915	905	0.58
34	A"	851	841	3.31
35	A"	617	610	0.71
36	A"	92	91	0.09

Atom	x (Å)	y (Å)	z (Å)
N1	0.539	-1.099	0.000
H2	0.437	-2.118	0.000
C3	-0.103	-0.471	1.163
C4	-0.103	-0.471	-1.163
C5	-0.103	1.027	0.780
C6	-0.103	1.027	-0.780
H7	-1.153	-0.818	1.314
H8	-1.153	-0.818	-1.314
H9	0.461	-0.685	2.086
H10	0.461	-0.685	-2.086
H11	0.802	1.521	1.166
H12	0.802	1.521	-1.166
H13	-0.974	1.552	1.204
H14	-0.974	1.552	-1.204

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0241	1.4695	1.4695	2.3543	2.3543	2.1609	2.1609	2.1279	2.1279	2.8805	2.8805	3.2818	3.2818
H2	1.0241		2.0876	2.0876	3.2855	3.2855	2.4385	2.4385	2.5310	2.5310	3.8394	3.8394	4.1127	4.1127
C3	1.4695	2.0876		2.3254	1.5460	2.4531	1.1163	2.7127	1.1029	3.3040	2.1883	3.1957	2.2031	3.2329
C4	1.4695	2.0876	2.3254		2.4531	1.5460	2.7127	1.1163	3.3040	1.1029	3.1957	2.1883	3.2329	2.2031
C5	2.3543	3.2855	1.5460	2.4531		1.5600	2.1893	2.9822	2.2258	3.3855	1.1017	2.2028	1.1019	2.2293
C6	2.3543	3.2855	2.4531	1.5460	1.5600		2.9822	2.1893	3.3855	2.2258	2.2028	1.1017	2.2293	1.1019
H7	2.1609	2.4385	1.1163	2.7127	2.1893	2.9822		2.6286	1.7945	3.7662	3.0529	3.9308	2.3799	3.4629
H8	2.1609	2.4385	2.7127	1.1163	2.9822	2.1893	2.6286		3.7662	1.7945	3.9308	3.0529	3.4629	2.3799
H9	2.1279	2.5310	1.1029	3.3040	2.2258	3.3855	1.7945	3.7662		4.1713	2.4142	3.9443	2.8007	4.2292
H10	2.1279	2.5310	3.3040	1.1029	3.3855	2.2258	3.7662	1.7945	4.1713		3.9443	2.4142	4.2292	2.8007
H11	2.8805	3.8394	2.1883	3.1957	1.1017	2.2028	3.0529	3.9308	2.4142	3.9443		2.3324	1.7775	2.9622
H12	2.8805	3.8394	3.1957	2.1883	2.2028	1.1017	3.9308	3.0529	3.9443	2.4142	2.3324		2.9622	1.7775
H13	3.2818	4.1127	2.2031	3.2329	1.1019	2.2293	2.3799	3.4629	2.8007	4.2292	1.7775	2.9622		2.4074
H14	3.2818	4.1127	3.2329	2.2031	2.2293	1.1019	3.4629	2.3799	4.2292	2.8007	2.9622	1.7775	2.4074

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.626	N1	C3	H7	112.662
N1	C3	H9	110.819	N1	C4	C6	102.626
N1	C4	H8	112.662	N1	C4	H10	110.819
H2	N1	C3	112.466	H2	N1	C4	112.466
C3	N1	C4	104.606	C3	C5	C6	104.332
C3	C5	H11	110.354	C3	C5	H13	111.509
C4	C6	C5	104.332	C4	C6	H12	110.354
C4	C6	H14	111.509	C5	C3	H7	109.581
C5	C3	H9	113.271	C5	C6	H12	110.519
C5	C6	H14	112.614	C6	C4	H8	109.581
C6	C4	H10	113.271	C6	C5	H11	110.519
C6	C5	H13	112.614	H7	C3	H9	107.915
H8	C4	H10	107.915	H11	C5	H13	107.539
H12	C6	H14	107.539

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: PBEPBE/6-31+G**

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	-0.330
2	H	0.294
3	C	-0.364
4	C	-0.364
5	C	-0.267
6	C	-0.267
7	H	0.148
8	H	0.148
9	H	0.159
10	H	0.159
11	H	0.176
12	H	0.176
13	H	0.166
14	H	0.166

	x	y	z	Total
	-0.949	-0.233	0.000	0.977
CHELPG
AIM
ESP

	x	y	z
x	7.903	-0.139	0.000
y	-0.139	8.381	0.000
z	0.000	0.000	8.908

<r²>	110.506
(<r²>)^1/2	10.512

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)