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	hartrees
Energy at 0K	-212.528430
Energy at 298.15K	-212.539960
Nuclear repulsion energy	190.274836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3571	3428	0.45
2	A'	3139	3013	54.28
3	A'	3098	2974	8.31
4	A'	3084	2961	46.79
5	A'	2941	2823	165.39
6	A'	1533	1472	0.60
7	A'	1506	1446	5.98
8	A'	1394	1339	1.37
9	A'	1320	1267	2.06
10	A'	1251	1201	1.22
11	A'	1226	1177	6.73
12	A'	1076	1033	0.41
13	A'	1008	968	2.32
14	A'	955	917	9.62
15	A'	913	876	2.10
16	A'	875	841	64.50
17	A'	769	738	30.24
18	A'	579	556	57.00
19	A'	298	287	4.51
20	A"	3119	2995	0.43
21	A"	3093	2970	79.27
22	A"	3075	2952	15.52
23	A"	2937	2820	56.32
24	A"	1513	1453	0.43
25	A"	1485	1426	0.82
26	A"	1439	1382	10.99
27	A"	1326	1274	8.02
28	A"	1309	1256	17.50
29	A"	1247	1197	5.04
30	A"	1205	1156	0.45
31	A"	1145	1099	12.39
32	A"	1112	1068	0.36
33	A"	943	905	0.49
34	A"	876	841	2.85
35	A"	637	611	0.78
36	A"	86	83	0.12

Atom	x (Å)	y (Å)	z (Å)
N1	0.525	-1.098	0.000
H2	0.422	-2.108	0.000
C3	-0.101	-0.468	1.158
C4	-0.101	-0.468	-1.158
C5	-0.101	1.022	0.776
C6	-0.101	1.022	-0.776
H7	-1.140	-0.812	1.319
H8	-1.140	-0.812	-1.319
H9	0.467	-0.677	2.071
H10	0.467	-0.677	-2.071
H11	0.799	1.513	1.159
H12	0.799	1.513	-1.159
H13	-0.965	1.545	1.196
H14	-0.965	1.545	-1.196

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0150	1.4599	1.4599	2.3431	2.3431	2.1440	2.1440	2.1143	2.1143	2.8702	2.8702	3.2618	3.2618
H2	1.0150		2.0751	2.0751	3.2671	3.2671	2.4213	2.4213	2.5177	2.5177	3.8208	3.8208	4.0867	4.0867
C3	1.4599	2.0751		2.3169	1.5383	2.4415	1.1069	2.7090	1.0950	3.2858	2.1754	3.1785	2.1910	3.2161
C4	1.4599	2.0751	2.3169		2.4415	1.5383	2.7090	1.1069	3.2858	1.0950	3.1785	2.1754	3.2161	2.1910
C5	2.3431	3.2671	1.5383	2.4415		1.5516	2.1770	2.9721	2.2110	3.3639	1.0939	2.1894	1.0941	2.2156
C6	2.3431	3.2671	2.4415	1.5383	1.5516		2.9721	2.1770	3.3639	2.2110	2.1894	1.0939	2.2156	1.0941
H7	2.1440	2.4213	1.1069	2.7090	2.1770	2.9721		2.6387	1.7795	3.7546	3.0315	3.9124	2.3667	3.4516
H8	2.1440	2.4213	2.7090	1.1069	2.9721	2.1770	2.6387		3.7546	1.7795	3.9124	3.0315	3.4516	2.3667
H9	2.1143	2.5177	1.0950	3.2858	2.2110	3.3639	1.7795	3.7546		4.1423	2.3958	3.9169	2.7848	4.2030
H10	2.1143	2.5177	3.2858	1.0950	3.3639	2.2110	3.7546	1.7795	4.1423		3.9169	2.3958	4.2030	2.7848
H11	2.8702	3.8208	2.1754	3.1785	1.0939	2.1894	3.0315	3.9124	2.3958	3.9169		2.3181	1.7640	2.9424
H12	2.8702	3.8208	3.1785	2.1754	2.1894	1.0939	3.9124	3.0315	3.9169	2.3958	2.3181		2.9424	1.7640
H13	3.2618	4.0867	2.1910	3.2161	1.0941	2.2156	2.3667	3.4516	2.7848	4.2030	1.7640	2.9424		2.3924
H14	3.2618	4.0867	3.2161	2.1910	2.2156	1.0941	3.4516	2.3667	4.2030	2.7848	2.9424	1.7640	2.3924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.770	N1	C3	H7	112.562
N1	C3	H9	110.891	N1	C4	C6	102.770
N1	C4	H8	112.562	N1	C4	H10	110.891
H2	N1	C3	112.722	H2	N1	C4	112.722
C3	N1	C4	105.034	C3	C5	C6	104.405
C3	C5	H11	110.334	C3	C5	H13	111.561
C4	C6	C5	104.405	C4	C6	H12	110.334
C4	C6	H14	111.561	C5	C3	H7	109.698
C5	C3	H9	113.127	C5	C6	H12	110.512
C5	C6	H14	112.597	C6	C4	H8	109.698
C6	C4	H10	113.127	C6	C5	H11	110.512
C6	C5	H13	112.597	H7	C3	H9	107.831
H8	C4	H10	107.831	H11	C5	H13	107.462
H12	C6	H14	107.462

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: B3PW91/6-31+G**

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	-0.362
2	H	0.294
3	C	-0.317
4	C	-0.317
5	C	-0.263
6	C	-0.263
7	H	0.136
8	H	0.136
9	H	0.153
10	H	0.153
11	H	0.168
12	H	0.168
13	H	0.158
14	H	0.158

	x	y	z	Total
	-1.012	-0.209	0.000	1.033
CHELPG
AIM
ESP

<r²>	109.247
(<r²>)^1/2	10.452

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: B3PW91/6-31+G**

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)