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	hartrees
Energy at 0K	-212.342346
Energy at 298.15K	-212.353893
Nuclear repulsion energy	190.701109

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3554	3380	0.92
2	A'	3161	3006	54.52
3	A'	3118	2966	12.19
4	A'	3105	2953	40.38
5	A'	2959	2814	144.78
6	A'	1560	1484	0.96
7	A'	1532	1457	4.52
8	A'	1420	1351	2.18
9	A'	1340	1275	1.56
10	A'	1268	1206	1.03
11	A'	1246	1185	7.71
12	A'	1093	1039	0.57
13	A'	1027	977	2.45
14	A'	970	923	8.14
15	A'	928	883	4.39
16	A'	899	855	67.46
17	A'	778	740	24.61
18	A'	585	557	48.81
19	A'	304	289	4.31
20	A"	3141	2988	0.25
21	A"	3112	2960	83.77
22	A"	3098	2946	8.13
23	A"	2955	2810	46.33
24	A"	1540	1464	1.70
25	A"	1510	1436	0.76
26	A"	1462	1390	6.91
27	A"	1347	1281	11.03
28	A"	1325	1260	15.88
29	A"	1265	1203	7.02
30	A"	1219	1159	0.48
31	A"	1163	1106	11.94
32	A"	1127	1072	0.12
33	A"	957	910	0.27
34	A"	886	843	2.90
35	A"	640	609	0.60
36	A"	78	75	0.16

Atom	x (Å)	y (Å)	z (Å)
N1	0.528	-1.093	0.000
H2	0.416	-2.101	0.000
C3	-0.101	-0.468	1.154
C4	-0.101	-0.468	-1.154
C5	-0.101	1.020	0.774
C6	-0.101	1.020	-0.774
H7	-1.141	-0.810	1.320
H8	-1.141	-0.810	-1.320
H9	0.468	-0.674	2.067
H10	0.468	-0.674	-2.067
H11	0.799	1.510	1.157
H12	0.799	1.510	-1.157
H13	-0.966	1.541	1.195
H14	-0.966	1.541	-1.195

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0148	1.4554	1.4554	2.3363	2.3363	2.1471	2.1471	2.1099	2.1099	2.8608	2.8608	3.2557	3.2557
H2	1.0148		2.0656	2.0656	3.2570	3.2570	2.4159	2.4159	2.5126	2.5126	3.8111	3.8111	4.0753	4.0753
C3	1.4554	2.0656		2.3080	1.5357	2.4356	1.1068	2.7055	1.0956	3.2775	2.1732	3.1722	2.1883	3.2098
C4	1.4554	2.0656	2.3080		2.4356	1.5357	2.7055	1.1068	3.2775	1.0956	3.1722	2.1732	3.2098	2.1883
C5	2.3363	3.2570	1.5357	2.4356		1.5485	2.1739	2.9690	2.2055	3.3565	1.0939	2.1862	1.0940	2.2128
C6	2.3363	3.2570	2.4356	1.5357	1.5485		2.9690	2.1739	3.3565	2.2055	2.1862	1.0939	2.2128	1.0940
H7	2.1471	2.4159	1.1068	2.7055	2.1739	2.9690		2.6406	1.7791	3.7526	3.0280	3.9088	2.3610	3.4472
H8	2.1471	2.4159	2.7055	1.1068	2.9690	2.1739	2.6406		3.7526	1.7791	3.9088	3.0280	3.4472	2.3610
H9	2.1099	2.5126	1.0956	3.2775	2.2055	3.3565	1.7791	3.7526		4.1342	2.3888	3.9079	2.7797	4.1957
H10	2.1099	2.5126	3.2775	1.0956	3.3565	2.2055	3.7526	1.7791	4.1342		3.9079	2.3888	4.1957	2.7797
H11	2.8608	3.8111	2.1732	3.1722	1.0939	2.1862	3.0280	3.9088	2.3888	3.9079		2.3137	1.7655	2.9402
H12	2.8608	3.8111	3.1722	2.1732	2.1862	1.0939	3.9088	3.0280	3.9079	2.3888	2.3137		2.9402	1.7655
H13	3.2557	4.0753	2.1883	3.2098	1.0940	2.2128	2.3610	3.4472	2.7797	4.1957	1.7655	2.9402		2.3891
H14	3.2557	4.0753	3.2098	2.1883	2.2128	1.0940	3.4472	2.3610	4.1957	2.7797	2.9402	1.7655	2.3891

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.687	N1	C3	H7	113.152
N1	C3	H9	110.816	N1	C4	C6	102.687
N1	C4	H8	113.152	N1	C4	H10	110.816
H2	N1	C3	112.250	H2	N1	C4	112.250
C3	N1	C4	104.917	C3	C5	C6	104.318
C3	C5	H11	110.340	C3	C5	H13	111.535
C4	C6	C5	104.318	C4	C6	H12	110.340
C4	C6	H14	111.535	C5	C3	H7	109.640
C5	C3	H9	112.831	C5	C6	H12	110.475
C5	C6	H14	112.594	C6	C4	H8	109.640
C6	C4	H10	112.831	C6	C5	H11	110.475
C6	C5	H13	112.594	H7	C3	H9	107.763
H8	C4	H10	107.763	H11	C5	H13	107.601
H12	C6	H14	107.601

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: HSEh1PBE/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	-0.576
2	H	0.316
3	C	-0.183
4	C	-0.183
5	C	-0.331
6	C	-0.331
7	H	0.136
8	H	0.136
9	H	0.167
10	H	0.167
11	H	0.177
12	H	0.177
13	H	0.165
14	H	0.165

	x	y	z	Total
	-0.928	-0.266	0.000	0.965
CHELPG
AIM
ESP

	x	y	z
x	6.318	-0.083	0.000
y	-0.083	7.016	0.000
z	0.000	0.000	7.494

<r²>	108.382
(<r²>)^1/2	10.411

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)