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	hartrees
Energy at 0K	-212.551087
Energy at 298.15K	-212.562627
Nuclear repulsion energy	190.584652

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3543	3411	1.19
2	A'	3123	3007	72.11
3	A'	3085	2970	13.47
4	A'	3071	2956	48.25
5	A'	2927	2817	171.65
6	A'	1543	1485	0.76
7	A'	1515	1459	6.83
8	A'	1405	1353	0.41
9	A'	1328	1279	2.03
10	A'	1257	1210	1.65
11	A'	1238	1192	7.14
12	A'	1081	1040	0.59
13	A'	1018	980	2.89
14	A'	958	922	7.61
15	A'	917	883	4.41
16	A'	889	856	65.61
17	A'	772	743	26.69
18	A'	582	560	50.75
19	A'	303	292	4.79
20	A"	3101	2986	1.21
21	A"	3078	2963	99.55
22	A"	3063	2948	9.44
23	A"	2922	2813	51.23
24	A"	1523	1466	0.24
25	A"	1494	1438	1.10
26	A"	1454	1400	8.22
27	A"	1336	1286	6.52
28	A"	1314	1265	17.24
29	A"	1258	1211	6.59
30	A"	1211	1166	0.25
31	A"	1146	1104	12.16
32	A"	1115	1074	0.90
33	A"	945	910	0.50
34	A"	879	846	2.77
35	A"	639	615	0.77
36	A"	77	74	0.15

Atom	x (Å)	y (Å)	z (Å)
N1	0.532	-1.095	0.000
H2	0.414	-2.101	0.000
C3	-0.102	-0.467	1.154
C4	-0.102	-0.467	-1.154
C5	-0.102	1.020	0.774
C6	-0.102	1.020	-0.774
H7	-1.141	-0.813	1.310
H8	-1.141	-0.813	-1.310
H9	0.459	-0.676	2.070
H10	0.459	-0.676	-2.070
H11	0.796	1.510	1.158
H12	0.796	1.510	-1.158
H13	-0.963	1.544	1.197
H14	-0.963	1.544	-1.197

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0139	1.4587	1.4587	2.3397	2.3397	2.1437	2.1437	2.1134	2.1134	2.8627	2.8627	3.2605	3.2605
H2	1.0139		2.0659	2.0659	3.2573	3.2573	2.4067	2.4067	2.5138	2.5138	3.8120	3.8120	4.0764	4.0764
C3	1.4587	2.0659		2.3084	1.5353	2.4357	1.1062	2.6966	1.0940	3.2795	2.1720	3.1723	2.1886	3.2116
C4	1.4587	2.0659	2.3084		2.4357	1.5353	2.6966	1.1062	3.2795	1.0940	3.1723	2.1720	3.2116	2.1886
C5	2.3397	3.2573	1.5353	2.4357		1.5489	2.1744	2.9641	2.2071	3.3592	1.0926	2.1864	1.0928	2.2138
C6	2.3397	3.2573	2.4357	1.5353	1.5489		2.9641	2.1744	3.3592	2.2071	2.1864	1.0926	2.2138	1.0928
H7	2.1437	2.4067	1.1062	2.6966	2.1744	2.9641		2.6200	1.7762	3.7421	3.0289	3.9040	2.3668	3.4456
H8	2.1437	2.4067	2.6966	1.1062	2.9641	2.1744	2.6200		3.7421	1.7762	3.9040	3.0289	3.4456	2.3668
H9	2.1134	2.5138	1.0940	3.2795	2.2071	3.3592	1.7762	3.7421		4.1406	2.3932	3.9135	2.7774	4.1980
H10	2.1134	2.5138	3.2795	1.0940	3.3592	2.2071	3.7421	1.7762	4.1406		3.9135	2.3932	4.1980	2.7774
H11	2.8627	3.8120	2.1720	3.1723	1.0926	2.1864	3.0289	3.9040	2.3932	3.9135		2.3157	1.7599	2.9393
H12	2.8627	3.8120	3.1723	2.1720	2.1864	1.0926	3.9040	3.0289	3.9135	2.3932	2.3157		2.9393	1.7599
H13	3.2605	4.0764	2.1886	3.2116	1.0928	2.2138	2.3668	3.4456	2.7774	4.1980	1.7599	2.9393		2.3932
H14	3.2605	4.0764	3.2116	2.1886	2.2138	1.0928	3.4456	2.3668	4.1980	2.7774	2.9393	1.7599	2.3932

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.760	N1	C3	H7	112.676
N1	C3	H9	110.964	N1	C4	C6	102.760
N1	C4	H8	112.676	N1	C4	H10	110.964
H2	N1	C3	112.084	H2	N1	C4	112.084
C3	N1	C4	104.605	C3	C5	C6	104.321
C3	C5	H11	110.352	C3	C5	H13	111.656
C4	C6	C5	104.321	C4	C6	H12	110.352
C4	C6	H14	111.656	C5	C3	H7	109.737
C5	C3	H9	113.087	C5	C6	H12	110.543
C5	C6	H14	112.726	C6	C4	H8	109.737
C6	C4	H10	113.087	C6	C5	H11	110.543
C6	C5	H13	112.726	H7	C3	H9	107.670
H8	C4	H10	107.670	H11	C5	H13	107.281
H12	C6	H14	107.281

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: B3PW91/6-311G*

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	-0.536
2	H	0.309
3	C	-0.299
4	C	-0.299
5	C	-0.439
6	C	-0.439
7	H	0.190
8	H	0.190
9	H	0.215
10	H	0.215
11	H	0.228
12	H	0.228
13	H	0.219
14	H	0.219

	x	y	z	Total
	-0.933	-0.293	0.000	0.978
CHELPG
AIM
ESP

<r²>	108.783
(<r²>)^1/2	10.430

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)