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	hartrees
Energy at 0K	-212.519114
Energy at 298.15K	-212.530549
HF Energy	-212.519114
Nuclear repulsion energy	189.791138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3467	3422	0.08
2	A'	3056	3016	66.42
3	A'	3018	2979	14.81
4	A'	3004	2965	45.24
5	A'	2859	2821	172.15
6	A'	1501	1481	0.75
7	A'	1476	1457	4.45
8	A'	1360	1342	1.72
9	A'	1286	1269	1.01
10	A'	1216	1200	1.73
11	A'	1196	1180	4.57
12	A'	1043	1030	0.69
13	A'	982	970	2.66
14	A'	918	906	3.92
15	A'	880	868	1.44
16	A'	849	838	48.28
17	A'	747	738	31.55
18	A'	568	561	49.79
19	A'	295	291	4.01
20	A"	3034	2995	0.66
21	A"	3011	2972	100.46
22	A"	2997	2958	8.01
23	A"	2855	2818	57.97
24	A"	1482	1463	0.32
25	A"	1459	1440	0.77
26	A"	1404	1386	6.46
27	A"	1298	1281	1.73
28	A"	1277	1261	16.14
29	A"	1219	1203	5.49
30	A"	1176	1160	0.04
31	A"	1103	1089	9.69
32	A"	1075	1061	8.35
33	A"	910	898	0.19
34	A"	855	844	3.59
35	A"	627	618	0.87
36	A"	81	80	0.05

Atom	x (Å)	y (Å)	z (Å)
N1	0.530	-1.104	0.000
H2	0.406	-2.112	0.000
C3	-0.101	-0.468	1.162
C4	-0.101	-0.468	-1.162
C5	-0.101	1.025	0.778
C6	-0.101	1.025	-0.778
H7	-1.141	-0.812	1.319
H8	-1.141	-0.812	-1.319
H9	0.464	-0.678	2.076
H10	0.464	-0.678	-2.076
H11	0.798	1.516	1.160
H12	0.798	1.516	-1.160
H13	-0.967	1.546	1.197
H14	-0.967	1.546	-1.197

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0159	1.4679	1.4679	2.3529	2.3529	2.1492	2.1492	2.1201	2.1201	2.8779	2.8779	3.2704	3.2704
H2	1.0159		2.0765	2.0765	3.2716	3.2716	2.4128	2.4128	2.5238	2.5238	3.8293	3.8293	4.0863	4.0863
C3	1.4679	2.0765		2.3249	1.5414	2.4484	1.1071	2.7125	1.0947	3.2940	2.1781	3.1843	2.1923	3.2202
C4	1.4679	2.0765	2.3249		2.4484	1.5414	2.7125	1.1071	3.2940	1.0947	3.1843	2.1781	3.2202	2.1923
C5	2.3529	3.2716	1.5414	2.4484		1.5564	2.1798	2.9760	2.2143	3.3712	1.0933	2.1926	1.0934	2.2181
C6	2.3529	3.2716	2.4484	1.5414	1.5564		2.9760	2.1798	3.3712	2.2143	2.1926	1.0933	2.2181	1.0934
H7	2.1492	2.4128	1.1071	2.7125	2.1798	2.9760		2.6376	1.7805	3.7578	3.0346	3.9154	2.3686	3.4528
H8	2.1492	2.4128	2.7125	1.1071	2.9760	2.1798	2.6376		3.7578	1.7805	3.9154	3.0346	3.4528	2.3686
H9	2.1201	2.5238	1.0947	3.2940	2.2143	3.3712	1.7805	3.7578		4.1517	2.4005	3.9240	2.7870	4.2074
H10	2.1201	2.5238	3.2940	1.0947	3.3712	2.2143	3.7578	1.7805	4.1517		3.9240	2.4005	4.2074	2.7870
H11	2.8779	3.8293	2.1781	3.1843	1.0933	2.1926	3.0346	3.9154	2.4005	3.9240		2.3208	1.7649	2.9442
H12	2.8779	3.8293	3.1843	2.1781	2.1926	1.0933	3.9154	3.0346	3.9240	2.4005	2.3208		2.9442	1.7649
H13	3.2704	4.0863	2.1923	3.2202	1.0934	2.2181	2.3686	3.4528	2.7870	4.2074	1.7649	2.9442		2.3930
H14	3.2704	4.0863	3.2202	2.1923	2.2181	1.0934	3.4528	2.3686	4.2074	2.7870	2.9442	1.7649	2.3930

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.927	N1	C3	H7	112.161
N1	C3	H9	111.037	N1	C4	C6	102.927
N1	C4	H8	112.161	N1	C4	H10	111.037
H2	N1	C3	112.284	H2	N1	C4	112.284
C3	N1	C4	104.753	C3	C5	C6	104.464
C3	C5	H11	110.213	C3	C5	H13	111.635
C4	C6	C5	104.464	C4	C6	H12	110.213
C4	C6	H14	111.635	C5	C3	H7	109.598
C5	C3	H9	113.309	C5	C6	H12	110.456
C5	C6	H14	112.598	C6	C4	H8	109.598
C6	C4	H10	113.309	C6	C5	H11	110.456
C6	C5	H13	112.598	H7	C3	H9	107.841
H8	C4	H10	107.841	H11	C5	H13	107.497
H12	C6	H14	107.497

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: B97D3/6-311+G(3df,2p)

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	-0.840
2	H	0.180
3	C	0.039
4	C	0.039
5	C	-0.155
6	C	-0.155
7	H	0.114
8	H	0.114
9	H	0.099
10	H	0.099
11	H	0.119
12	H	0.119
13	H	0.114
14	H	0.114

	x	y	z	Total
	-0.901	-0.207	0.000	0.924
CHELPG
AIM
ESP

	x	y	z
x	8.044	-0.179	0.000
y	-0.179	8.805	0.000
z	0.000	0.000	9.258

<r²>	109.868
(<r²>)^1/2	10.482

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)