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	hartrees
Energy at 0K	-211.228145
Energy at 298.15K	-211.239902
HF Energy	-211.228145
Nuclear repulsion energy	191.369696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3771	3418	0.94
2	A'	3240	2937	100.92
3	A'	3213	2912	8.52
4	A'	3196	2897	59.90
5	A'	3085	2796	153.47
6	A'	1659	1504	0.54
7	A'	1630	1478	3.57
8	A'	1529	1386	2.59
9	A'	1437	1303	1.62
10	A'	1364	1236	2.71
11	A'	1332	1208	9.20
12	A'	1142	1035	0.51
13	A'	1070	970	3.33
14	A'	1009	915	13.81
15	A'	957	868	13.86
16	A'	941	853	42.61
17	A'	828	750	22.99
18	A'	622	564	45.70
19	A'	302	274	3.73
20	A"	3216	2915	25.27
21	A"	3202	2902	99.35
22	A"	3183	2885	15.21
23	A"	3079	2791	40.87
24	A"	1641	1487	1.71
25	A"	1609	1458	0.41
26	A"	1577	1430	10.83
27	A"	1451	1315	4.40
28	A"	1433	1299	24.07
29	A"	1358	1231	4.23
30	A"	1315	1192	0.33
31	A"	1234	1119	12.40
32	A"	1195	1083	4.95
33	A"	991	899	0.00
34	A"	936	848	2.50
35	A"	685	621	1.11
36	A"	73	66	0.10

Atom	x (Å)	y (Å)	z (Å)
N1	0.515	-1.101	0.000
H2	0.391	-2.090	0.000
C3	-0.098	-0.464	1.154
C4	-0.098	-0.464	-1.154
C5	-0.098	1.021	0.773
C6	-0.098	1.021	-0.773
H7	-1.122	-0.810	1.304
H8	-1.122	-0.810	-1.304
H9	0.457	-0.674	2.058
H10	0.457	-0.674	-2.058
H11	0.794	1.502	1.150
H12	0.794	1.502	-1.150
H13	-0.948	1.544	1.191
H14	-0.948	1.544	-1.191

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		0.9970	1.4539	1.4539	2.3403	2.3403	2.1127	2.1127	2.1031	2.1031	2.8590	2.8590	3.2488	3.2488
H2	0.9970		2.0533	2.0533	3.2430	3.2430	2.3724	2.3724	2.4997	2.4997	3.7930	3.7930	4.0519	4.0519
C3	1.4539	2.0533		2.3082	1.5329	2.4332	1.0905	2.6849	1.0814	3.2668	2.1587	3.1571	2.1806	3.2021
C4	1.4539	2.0533	2.3082		2.4332	1.5329	2.6849	1.0905	3.2668	1.0814	3.1571	2.1587	3.2021	2.1806
C5	2.3403	3.2430	1.5329	2.4332		1.5470	2.1632	2.9519	2.1976	3.3464	1.0809	2.1738	1.0817	2.2034
C6	2.3403	3.2430	2.4332	1.5329	1.5470		2.9519	2.1632	3.3464	2.1976	2.1738	1.0809	2.2034	1.0817
H7	2.1127	2.3724	1.0905	2.6849	2.1632	2.9519		2.6079	1.7546	3.7168	3.0058	3.8770	2.3625	3.4342
H8	2.1127	2.3724	2.6849	1.0905	2.9519	2.1632	2.6079		3.7168	1.7546	3.8770	3.0058	3.4342	2.3625
H9	2.1031	2.4997	1.0814	3.2668	2.1976	3.3464	1.7546	3.7168		4.1167	2.3814	3.8906	2.7644	4.1771
H10	2.1031	2.4997	3.2668	1.0814	3.3464	2.1976	3.7168	1.7546	4.1167		3.8906	2.3814	4.1771	2.7644
H11	2.8590	3.7930	2.1587	3.1571	1.0809	2.1738	3.0058	3.8770	2.3814	3.8906		2.2992	1.7428	2.9179
H12	2.8590	3.7930	3.1571	2.1587	2.1738	1.0809	3.8770	3.0058	3.8906	2.3814	2.2992		2.9179	1.7428
H13	3.2488	4.0519	2.1806	3.2021	1.0817	2.2034	2.3625	3.4342	2.7644	4.1771	1.7428	2.9179		2.3821
H14	3.2488	4.0519	3.2021	2.1806	2.2034	1.0817	3.4342	2.3625	4.1771	2.7644	2.9179	1.7428	2.3821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	103.140	N1	C3	H7	111.471
N1	C3	H9	111.252	N1	C4	C6	103.140
N1	C4	H8	111.471	N1	C4	H10	111.252
H2	N1	C3	112.476	H2	N1	C4	112.476
C3	N1	C4	105.084	C3	C5	C6	104.376
C3	C5	H11	110.158	C3	C5	H13	111.868
C4	C6	C5	104.376	C4	C6	H12	110.158
C4	C6	H14	111.868	C5	C3	H7	109.946
C5	C3	H9	113.279	C5	C6	H12	110.363
C5	C6	H14	112.708	C6	C4	H8	109.946
C6	C4	H10	113.279	C6	C5	H11	110.363
C6	C5	H13	112.708	H7	C3	H9	107.773
H8	C4	H10	107.773	H11	C5	H13	107.391
H12	C6	H14	107.391

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: HF/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	-0.319
2	H	0.112
3	C	-0.006
4	C	-0.006
5	C	-0.077
6	C	-0.077
7	H	0.042
8	H	0.042
9	H	0.054
10	H	0.054
11	H	0.047
12	H	0.047
13	H	0.043
14	H	0.043

	x	y	z	Total
	-0.983	-0.207	0.000	1.004
CHELPG
AIM
ESP

	x	y	z
x	6.792	-0.060	0.000
y	-0.060	7.703	0.000
z	0.000	0.000	8.073

<r²>	108.405
(<r²>)^1/2	10.412

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)