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	hartrees
Energy at 0K	-211.376274
Energy at 298.15K	-211.387641
Nuclear repulsion energy	189.267958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3534	3356	0.58
2	A	3173	3013	35.40
3	A	3157	2998	14.99
4	A	3119	2962	36.65
5	A	3105	2949	16.15
6	A	3102	2946	28.88
7	A	3084	2928	40.84
8	A	3026	2873	71.55
9	A	2966	2817	94.00
10	A	1596	1515	1.67
11	A	1576	1497	2.82
12	A	1549	1471	5.75
13	A	1534	1457	6.55
14	A	1474	1399	6.21
15	A	1413	1342	0.77
16	A	1381	1312	2.03
17	A	1364	1296	3.64
18	A	1336	1268	22.64
19	A	1279	1215	2.35
20	A	1275	1211	7.15
21	A	1223	1161	3.36
22	A	1208	1147	0.51
23	A	1162	1103	18.60
24	A	1117	1061	10.73
25	A	1080	1026	2.13
26	A	1010	959	3.47
27	A	943	895	1.99
28	A	936	889	0.58
29	A	919	873	1.61
30	A	897	852	3.22
31	A	847	804	0.78
32	A	762	724	32.20
33	A	590	561	2.45
34	A	490	465	127.20
35	A	278	264	1.77
36	A	56	53	2.74

Atom	x (Å)	y (Å)	z (Å)
N1	0.541	-1.097	0.000
H2	0.500	-2.118	0.000
C3	-0.107	-0.473	1.172
C4	-0.107	-0.473	-1.172
C5	-0.107	1.027	0.782
C6	-0.107	1.027	-0.782
H7	-1.149	-0.809	1.322
H8	-1.149	-0.809	-1.322
H9	0.465	-0.668	2.083
H10	0.465	-0.668	-2.083
H11	0.801	1.506	1.154
H12	0.801	1.506	-1.154
H13	-0.976	1.544	1.193
H14	-0.976	1.544	-1.193

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0217	1.4777	1.4777	2.3537	2.3537	2.1652	2.1652	2.1276	2.1276	2.8591	2.8591	3.2716	3.2716
H2	1.0217		2.1091	2.1091	3.2963	3.2963	2.4859	2.4859	2.5375	2.5375	3.8150	3.8150	4.1249	4.1249
C3	1.4777	2.1091		2.3439	1.5491	2.4626	1.1051	2.7239	1.0928	3.3101	2.1773	3.1857	2.1965	3.2278
C4	1.4777	2.1091	2.3439		2.4626	1.5491	2.7239	1.1051	3.3101	1.0928	3.1857	2.1773	3.2278	2.1965
C5	2.3537	3.2963	1.5491	2.4626		1.5636	2.1788	2.9803	2.2115	3.3769	1.0920	2.1909	1.0924	2.2193
C6	2.3537	3.2963	2.4626	1.5491	1.5636		2.9803	2.1788	3.3769	2.2115	2.1909	1.0920	2.2193	1.0924
H7	2.1652	2.4859	1.1051	2.7239	2.1788	2.9803		2.6444	1.7892	3.7704	3.0317	3.9105	2.3634	3.4493
H8	2.1652	2.4859	2.7239	1.1051	2.9803	2.1788	2.6444		3.7704	1.7892	3.9105	3.0317	3.4493	2.3634
H9	2.1276	2.5375	1.0928	3.3101	2.2115	3.3769	1.7892	3.7704		4.1651	2.3884	3.9134	2.7861	4.2076
H10	2.1276	2.5375	3.3101	1.0928	3.3769	2.2115	3.7704	1.7892	4.1651		3.9134	2.3884	4.2076	2.7861
H11	2.8591	3.8150	2.1773	3.1857	1.0920	2.1909	3.0317	3.9105	2.3884	3.9134		2.3073	1.7778	2.9441
H12	2.8591	3.8150	3.1857	2.1773	2.1909	1.0920	3.9105	3.0317	3.9134	2.3884	2.3073		2.9441	1.7778
H13	3.2716	4.1249	2.1965	3.2278	1.0924	2.2193	2.3634	3.4493	2.7861	4.2076	1.7778	2.9441		2.3868
H14	3.2716	4.1249	3.2278	2.1965	2.2193	1.0924	3.4493	2.3634	4.2076	2.7861	2.9441	1.7778	2.3868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.065	N1	C3	H7	113.132
N1	C3	H9	110.839	N1	C4	C6	102.065
N1	C4	H8	113.132	N1	C4	H10	110.839
H2	N1	C3	113.854	H2	N1	C4	113.854
C3	N1	C4	104.955	C3	C5	C6	104.589
C3	C5	H11	109.844	C3	C5	H13	111.339
C4	C6	C5	104.589	C4	C6	H12	109.844
C4	C6	H14	111.339	C5	C3	H7	109.207
C5	C3	H9	112.526	C5	C6	H12	109.909
C5	C6	H14	112.138	C6	C4	H8	109.207
C6	C4	H10	112.526	C6	C5	H11	109.909
C6	C5	H13	112.138	H7	C3	H9	108.986
H8	C4	H10	108.986	H11	C5	H13	108.956
H12	C6	H14	108.956

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: mPW1PW91/3-21G*

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	-0.608
2	H	0.289
3	C	-0.245
4	C	-0.251
5	C	-0.461
6	C	-0.436
7	H	0.195
8	H	0.183
9	H	0.220
10	H	0.222
11	H	0.223
12	H	0.236
13	H	0.221
14	H	0.213

	x	y	z	Total
	0.100	0.135	1.065	1.078
CHELPG
AIM
ESP

	x	y	z
x	7.175	0.031	-0.118
y	0.031	6.595	-0.098
z	-0.118	-0.098	5.853

<r²>	109.675
(<r²>)^1/2	10.473

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: mPW1PW91/3-21G*

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)