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	hartrees
Energy at 0K	-37.902864
Energy at 298.15K	-37.914265
Nuclear repulsion energy	105.753385

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3505	3384	2.13
2	A'	3130	3022	113.76
3	A'	3084	2978	16.93
4	A'	3071	2966	58.67
5	A'	2950	2848	176.72
6	A'	1533	1480	1.19
7	A'	1503	1452	4.44
8	A'	1389	1341	1.69
9	A'	1312	1267	1.35
10	A'	1237	1195	0.28
11	A'	1219	1177	7.01
12	A'	1062	1025	0.87
13	A'	994	960	4.75
14	A'	933	901	4.00
15	A'	900	869	14.75
16	A'	882	852	57.44
17	A'	753	727	12.62
18	A'	572	553	43.19
19	A'	296	285	4.73
20	A"	3103	2997	6.55
21	A"	3070	2965	108.89
22	A"	3062	2957	8.81
23	A"	2946	2845	56.92
24	A"	1513	1461	1.35
25	A"	1480	1429	0.78
26	A"	1428	1379	4.76
27	A"	1320	1275	10.67
28	A"	1294	1249	13.50
29	A"	1236	1193	6.26
30	A"	1187	1146	0.03
31	A"	1115	1077	10.70
32	A"	1077	1040	2.10
33	A"	925	893	0.60
34	A"	853	824	3.17
35	A"	620	599	0.59
36	A"	65	63	0.19

Atom	x (Å)	y (Å)	z (Å)
N1	0.547	-1.110	0.000
H2	0.396	-2.123	0.000
C3	-0.104	-0.474	1.169
C4	-0.104	-0.474	-1.169
C5	-0.104	1.035	0.785
C6	-0.104	1.035	-0.785
H7	-1.151	-0.824	1.321
H8	-1.151	-0.824	-1.321
H9	0.462	-0.682	2.093
H10	0.462	-0.682	-2.093
H11	0.805	1.526	1.168
H12	0.805	1.526	-1.168
H13	-0.975	1.561	1.210
H14	-0.975	1.561	-1.210

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0246	1.4816	1.4816	2.3755	2.3755	2.1700	2.1700	2.1376	2.1376	2.8944	2.8944	3.3038	3.3038
H2	1.0246		2.0827	2.0827	3.2932	3.2932	2.4138	2.4138	2.5419	2.5419	3.8532	3.8532	4.1134	4.1134
C3	1.4816	2.0827		2.3383	1.5575	2.4695	1.1138	2.7238	1.1031	3.3171	2.1967	3.2077	2.2140	3.2499
C4	1.4816	2.0827	2.3383		2.4695	1.5575	2.7238	1.1138	3.3171	1.1031	3.2077	2.1967	3.2499	2.2140
C5	2.3755	3.2932	1.5575	2.4695		1.5706	2.2000	2.9984	2.2313	3.3989	1.1016	2.2099	1.1023	2.2398
C6	2.3755	3.2932	2.4695	1.5575	1.5706		2.9984	2.2000	3.3989	2.2313	2.2099	1.1016	2.2398	1.1023
H7	2.1700	2.4138	1.1138	2.7238	2.2000	2.9984		2.6423	1.7936	3.7783	3.0609	3.9425	2.3944	3.4827
H8	2.1700	2.4138	2.7238	1.1138	2.9984	2.2000	2.6423		3.7783	1.7936	3.9425	3.0609	3.4827	2.3944
H9	2.1376	2.5419	1.1031	3.3171	2.2313	3.3989	1.7936	3.7783		4.1853	2.4176	3.9527	2.8062	4.2433
H10	2.1376	2.5419	3.3171	1.1031	3.3989	2.2313	3.7783	1.7936	4.1853		3.9527	2.4176	4.2433	2.8062
H11	2.8944	3.8532	2.1967	3.2077	1.1016	2.2099	3.0609	3.9425	2.4176	3.9527		2.3366	1.7806	2.9709
H12	2.8944	3.8532	3.2077	2.1967	2.2099	1.1016	3.9425	3.0609	3.9527	2.4176	2.3366		2.9709	1.7806
H13	3.3038	4.1134	2.2140	3.2499	1.1023	2.2398	2.3944	3.4827	2.8062	4.2433	1.7806	2.9709		2.4206
H14	3.3038	4.1134	3.2499	2.2140	2.2398	1.1023	3.4827	2.3944	4.2433	2.8062	2.9709	1.7806	2.4206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.792	N1	C3	H7	112.687
N1	C3	H9	110.734	N1	C4	C6	102.792
N1	C4	H8	112.687	N1	C4	H10	110.734
H2	N1	C3	111.090	H2	N1	C4	111.090
C3	N1	C4	104.202	C3	C5	C6	104.267
C3	C5	H11	110.221	C3	C5	H13	111.546
C4	C6	C5	104.267	C4	C6	H12	110.221
C4	C6	H14	111.546	C5	C3	H7	109.773
C5	C3	H9	112.881	C5	C6	H12	110.345
C5	C6	H14	112.678	C6	C4	H8	109.773
C6	C4	H10	112.881	C6	C5	H11	110.345
C6	C5	H13	112.678	H7	C3	H9	108.000
H8	C4	H10	108.000	H11	C5	H13	107.789
H12	C6	H14	107.789

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: B3LYP/CEP-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	-0.263
2	H	0.249
3	C	-0.329
4	C	-0.329
5	C	-0.263
6	C	-0.263
7	H	0.108
8	H	0.108
9	H	0.197
10	H	0.197
11	H	0.136
12	H	0.136
13	H	0.158
14	H	0.158

	x	y	z	Total
	-1.198	-0.158	0.000	1.208
CHELPG
AIM
ESP

	x	y	z
x	5.980	0.120	0.000
y	0.120	7.481	0.000
z	0.000	0.000	7.722

<r²>	94.460
(<r²>)^1/2	9.719

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)