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	hartrees
Energy at 0K	-209.840789
Energy at 298.15K	-209.851897
Nuclear repulsion energy	184.187735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3367	3115	10.19
2	A	3360	3109	20.49
3	A	3357	3106	0.00
4	A	3302	3055	9.68
5	A	3299	3053	2.72
6	A	3255	3011	4.90
7	A	3251	3008	2.82
8	A	3164	2927	15.31
9	A	3163	2927	21.17
10	A	1639	1517	0.37
11	A	1627	1505	2.38
12	A	1625	1503	0.75
13	A	1619	1498	0.75
14	A	1478	1368	0.00
15	A	1453	1344	3.87
16	A	1396	1292	1.10
17	A	1379	1276	0.62
18	A	1356	1255	7.47
19	A	1299	1202	4.35
20	A	1296	1199	2.68
21	A	1247	1154	0.01
22	A	1243	1150	1.44
23	A	1139	1054	5.23
24	A	1120	1036	4.62
25	A	1111	1028	0.49
26	A	1068	988	5.31
27	A	989	915	3.64
28	A	962	891	0.46
29	A	929	859	2.63
30	A	880	814	0.28
31	A	871	806	9.96
32	A	777	719	4.86
33	A	647	598	0.38
34	A	571	529	21.62
35	A	260	241	5.28
36	A	84	78	0.21

Atom	x (Å)	y (Å)	z (Å)
N1	-0.001	-1.240	-0.397
H2	-0.002	-2.178	0.137
C3	1.200	-0.448	0.178
C4	-1.201	-0.446	0.177
C5	0.795	1.058	-0.058
C6	-0.793	1.059	-0.057
H7	1.366	-0.635	1.269
H8	-1.368	-0.633	1.269
H9	2.126	-0.737	-0.371
H10	-2.128	-0.732	-0.372
H11	1.182	1.414	-1.035
H12	-1.180	1.417	-1.034
H13	1.209	1.713	0.737
H14	-1.205	1.715	0.738

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0786	1.5494	1.5494	2.4556	2.4558	2.2387	2.2387	2.1863	2.1863	2.9752	2.9760	3.3872	3.3870
H2	1.0786		2.1067	2.1067	3.3379	3.3380	2.3524	2.3523	2.6200	2.6202	3.9591	3.9598	4.1189	4.1185
C3	1.5494	2.1067		2.4016	1.5773	2.5103	1.1201	2.7968	1.1142	3.3848	2.2221	3.2575	2.2327	3.2834
C4	1.5494	2.1067	2.4016		2.5104	1.5773	2.7966	1.1201	3.3849	1.1142	3.2570	2.2222	3.2841	2.2326
C5	2.4556	3.3379	1.5773	2.5104		1.5881	2.2257	3.0493	2.2561	3.4416	1.1095	2.2319	1.1101	2.2509
C6	2.4558	3.3380	2.5103	1.5773	1.5881		3.0486	2.2257	3.4418	2.2561	2.2319	1.1095	2.2510	1.1101
H7	2.2387	2.3524	1.1201	2.7966	2.2257	3.0486		2.7344	1.8109	3.8613	3.0890	3.9998	2.4131	3.5240
H8	2.2387	2.3523	2.7968	1.1201	3.0493	2.2257	2.7344		3.8615	1.8108	3.9999	3.0888	3.5256	2.4128
H9	2.1863	2.6200	1.1142	3.3849	2.2561	3.4418	1.8109	3.8615		4.2537	2.4407	4.0008	2.8408	4.2825
H10	2.1863	2.6202	3.3848	1.1142	3.4416	2.2561	3.8613	1.8108	4.2537		3.9997	2.4405	4.2829	2.8412
H11	2.9752	3.9591	2.2221	3.2570	1.1095	2.2319	3.0890	3.9999	2.4407	3.9997		2.3616	1.7969	2.9887
H12	2.9760	3.9598	3.2575	2.2222	2.2319	1.1095	3.9998	3.0888	4.0008	2.4405	2.3616		2.9883	1.7969
H13	3.3872	4.1189	2.2327	3.2841	1.1101	2.2510	2.4131	3.5256	2.8408	4.2829	1.7969	2.9883		2.4145
H14	3.3870	4.1185	3.2834	2.2326	2.2509	1.1101	3.5240	2.4128	4.2825	2.8412	2.9887	1.7969	2.4145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	103.510	N1	C3	H7	113.007
N1	C3	H9	109.244	N1	C4	C6	103.517
N1	C4	H8	113.006	N1	C4	H10	109.243
H2	N1	C3	105.160	H2	N1	C4	105.162
C3	N1	C4	101.613	C3	C5	C6	104.942
C3	C5	H11	110.382	C3	C5	H13	111.167
C4	C6	C5	104.945	C4	C6	H12	110.387
C4	C6	H14	111.162	C5	C3	H7	110.049
C5	C3	H9	112.775	C5	C6	H12	110.400
C5	C6	H14	111.848	C6	C4	H8	110.048
C6	C4	H10	112.773	C6	C5	H11	110.398
C6	C5	H13	111.852	H7	C3	H9	108.285
H8	C4	H10	108.283	H11	C5	H13	108.107
H12	C6	H14	108.106

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: BLYP/STO-3G

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	-0.280
2	H	0.141
3	C	-0.071
4	C	-0.071
5	C	-0.131
6	C	-0.131
7	H	0.056
8	H	0.056
9	H	0.073
10	H	0.073
11	H	0.074
12	H	0.074
13	H	0.069
14	H	0.069

	x	y	z	Total
	0.000	0.232	1.399	1.418
CHELPG
AIM
ESP

	x	y	z
x	4.427	-0.000	0.000
y	-0.000	4.198	-0.113
z	0.000	-0.113	3.324

<r²>	113.450
(<r²>)^1/2	10.651

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: BLYP/STO-3G

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)