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	hartrees
Energy at 0K	-212.468387
Energy at 298.15K	-212.479764
Nuclear repulsion energy	188.271157

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3399	3372	4.42
2	A'	3047	3024	66.55
3	A'	3006	2983	23.46
4	A'	2993	2970	36.14
5	A'	2842	2820	157.88
6	A'	1507	1495	0.77
7	A'	1481	1470	1.65
8	A'	1364	1353	5.57
9	A'	1284	1274	0.51
10	A'	1208	1199	1.05
11	A'	1193	1184	4.88
12	A'	1033	1025	1.55
13	A'	982	975	6.23
14	A'	910	903	1.21
15	A'	868	861	1.68
16	A'	845	838	51.79
17	A'	744	738	29.29
18	A'	563	559	47.07
19	A'	293	291	3.99
20	A"	3027	3004	0.21
21	A"	2997	2974	103.24
22	A"	2989	2966	0.00
23	A"	2835	2813	52.42
24	A"	1487	1476	3.99
25	A"	1463	1452	0.25
26	A"	1393	1383	1.72
27	A"	1293	1283	5.78
28	A"	1270	1260	14.83
29	A"	1214	1204	8.24
30	A"	1165	1156	0.04
31	A"	1098	1090	7.61
32	A"	1062	1054	9.55
33	A"	898	891	0.03
34	A"	850	843	4.14
35	A"	620	615	0.75
36	A"	81	81	0.14

Atom	x (Å)	y (Å)	z (Å)
N1	0.541	-1.109	0.000
H2	0.400	-2.126	0.000
C3	-0.103	-0.473	1.171
C4	-0.103	-0.473	-1.171
C5	-0.103	1.033	0.785
C6	-0.103	1.033	-0.785
H7	-1.151	-0.816	1.336
H8	-1.151	-0.816	-1.336
H9	0.466	-0.685	2.091
H10	0.466	-0.685	-2.091
H11	0.801	1.530	1.169
H12	0.801	1.530	-1.169
H13	-0.973	1.557	1.208
H14	-0.973	1.557	-1.208

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0262	1.4803	1.4803	2.3711	2.3711	2.1756	2.1756	2.1350	2.1350	2.8980	2.8980	3.2960	3.2960
H2	1.0262		2.0873	2.0873	3.2939	3.2939	2.4303	2.4303	2.5401	2.5401	3.8587	3.8587	4.1123	4.1123
C3	1.4803	2.0873		2.3423	1.5551	2.4688	1.1147	2.7389	1.1023	3.3183	2.1971	3.2100	2.2092	3.2466
C4	1.4803	2.0873	2.3423		2.4688	1.5551	2.7389	1.1147	3.3183	1.1023	3.2100	2.1971	3.2466	2.2092
C5	2.3711	3.2939	1.5551	2.4688		1.5697	2.1958	3.0027	2.2324	3.3983	1.1003	2.2093	1.1005	2.2370
C6	2.3711	3.2939	2.4688	1.5551	1.5697		3.0027	2.1958	3.3983	2.2324	2.2093	1.1003	2.2370	1.1005
H7	2.1756	2.4303	1.1147	2.7389	2.1958	3.0027		2.6723	1.7889	3.7916	3.0558	3.9480	2.3832	3.4838
H8	2.1756	2.4303	2.7389	1.1147	3.0027	2.1958	2.6723		3.7916	1.7889	3.9480	3.0558	3.4838	2.3832
H9	2.1350	2.5401	1.1023	3.3183	2.2324	3.3983	1.7889	3.7916		4.1822	2.4224	3.9556	2.8070	4.2409
H10	2.1350	2.5401	3.3183	1.1023	3.3983	2.2324	3.7916	1.7889	4.1822		3.9556	2.4224	4.2409	2.8070
H11	2.8980	3.8587	2.1971	3.2100	1.1003	2.2093	3.0558	3.9480	2.4224	3.9556		2.3383	1.7748	2.9665
H12	2.8980	3.8587	3.2100	2.1971	2.2093	1.1003	3.9480	3.0558	3.9556	2.4224	2.3383		2.9665	1.7748
H13	3.2960	4.1123	2.2092	3.2466	1.1005	2.2370	2.3832	3.4838	2.8070	4.2409	1.7748	2.9665		2.4163
H14	3.2960	4.1123	3.2466	2.2092	2.2370	1.1005	3.4838	2.3832	4.2409	2.8070	2.9665	1.7748	2.4163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.702	N1	C3	H7	113.190
N1	C3	H9	110.673	N1	C4	C6	102.702
N1	C4	H8	113.190	N1	C4	H10	110.673
H2	N1	C3	111.477	H2	N1	C4	111.477
C3	N1	C4	104.587	C3	C5	C6	104.382
C3	C5	H11	110.497	C3	C5	H13	111.438
C4	C6	C5	104.382	C4	C6	H12	110.497
C4	C6	H14	111.438	C5	C3	H7	109.561
C5	C3	H9	113.193	C5	C6	H12	110.440
C5	C6	H14	112.620	C6	C4	H8	109.561
C6	C4	H10	113.193	C6	C5	H11	110.440
C6	C5	H13	112.620	H7	C3	H9	107.593
H8	C4	H10	107.593	H11	C5	H13	107.496
H12	C6	H14	107.496

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: BLYP/6-31G**

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	-0.462
2	H	0.215
3	C	-0.025
4	C	-0.025
5	C	-0.156
6	C	-0.156
7	H	0.057
8	H	0.057
9	H	0.078
10	H	0.078
11	H	0.092
12	H	0.092
13	H	0.077
14	H	0.077

	x	y	z	Total
	-0.859	-0.222	0.000	0.888
CHELPG
AIM
ESP

<r²>	110.978
(<r²>)^1/2	10.535

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: BLYP/6-31G**

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)