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	hartrees
Energy at 0K	-211.199184
Energy at 298.15K	-211.210927
Nuclear repulsion energy	191.113426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3768	3423	0.69
2	A'	3244	2947	112.25
3	A'	3216	2922	5.95
4	A'	3198	2905	64.81
5	A'	3086	2804	166.49
6	A'	1659	1507	0.49
7	A'	1629	1480	3.88
8	A'	1529	1389	2.62
9	A'	1439	1307	1.90
10	A'	1365	1240	3.13
11	A'	1333	1211	10.29
12	A'	1143	1038	0.47
13	A'	1072	974	3.98
14	A'	1012	920	16.13
15	A'	961	873	24.21
16	A'	946	859	36.15
17	A'	828	752	22.36
18	A'	622	565	44.42
19	A'	305	277	4.54
20	A"	3220	2926	28.66
21	A"	3206	2913	92.05
22	A"	3185	2893	20.52
23	A"	3079	2797	40.06
24	A"	1641	1491	1.98
25	A"	1606	1459	0.42
26	A"	1577	1433	10.02
27	A"	1451	1319	10.29
28	A"	1432	1301	19.84
29	A"	1357	1233	4.38
30	A"	1313	1193	0.19
31	A"	1233	1120	12.04
32	A"	1194	1085	2.97
33	A"	993	902	0.04
34	A"	935	849	2.34
35	A"	682	620	1.06
36	A"	59	54	0.13

Atom	x (Å)	y (Å)	z (Å)
N1	0.513	-1.101	0.000
H2	0.393	-2.092	0.000
C3	-0.098	-0.466	1.156
C4	-0.098	-0.466	-1.156
C5	-0.098	1.021	0.775
C6	-0.098	1.021	-0.775
H7	-1.124	-0.809	1.322
H8	-1.124	-0.809	-1.322
H9	0.469	-0.670	2.057
H10	0.469	-0.670	-2.057
H11	0.794	1.506	1.152
H12	0.794	1.506	-1.152
H13	-0.953	1.542	1.191
H14	-0.953	1.542	-1.191

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		0.9990	1.4534	1.4534	2.3400	2.3400	2.1245	2.1245	2.1022	2.1022	2.8638	2.8638	3.2483	3.2483
H2	0.9990		2.0546	2.0546	3.2457	3.2457	2.3867	2.3867	2.5021	2.5021	3.7996	3.7996	4.0544	4.0544
C3	1.4534	2.0546		2.3118	1.5355	2.4371	1.0944	2.7036	1.0842	3.2691	2.1650	3.1647	2.1827	3.2051
C4	1.4534	2.0546	2.3118		2.4371	1.5355	2.7036	1.0944	3.2691	1.0842	3.1647	2.1650	3.2051	2.1827
C5	2.3400	3.2457	1.5355	2.4371		1.5492	2.1684	2.9661	2.1970	3.3468	1.0839	2.1785	1.0843	2.2062
C6	2.3400	3.2457	2.4371	1.5355	1.5492		2.9661	2.1684	3.3468	2.1970	2.1785	1.0839	2.2062	1.0843
H7	2.1245	2.3867	1.0944	2.7036	2.1684	2.9661		2.6438	1.7602	3.7384	3.0117	3.8941	2.3606	3.4456
H8	2.1245	2.3867	2.7036	1.0944	2.9661	2.1684	2.6438		3.7384	1.7602	3.8941	3.0117	3.4456	2.3606
H9	2.1022	2.5021	1.0842	3.2691	2.1970	3.3468	1.7602	3.7384		4.1144	2.3790	3.8914	2.7684	4.1795
H10	2.1022	2.5021	3.2691	1.0842	3.3468	2.1970	3.7384	1.7602	4.1144		3.8914	2.3790	4.1795	2.7684
H11	2.8638	3.7996	2.1650	3.1647	1.0839	2.1785	3.0117	3.8941	2.3790	3.8914		2.3049	1.7485	2.9240
H12	2.8638	3.7996	3.1647	2.1650	2.1785	1.0839	3.8941	3.0117	3.8914	2.3790	2.3049		2.9240	1.7485
H13	3.2483	4.0544	2.1827	3.2051	1.0843	2.2062	2.3606	3.4456	2.7684	4.1795	1.7485	2.9240		2.3828
H14	3.2483	4.0544	3.2051	2.1827	2.2062	1.0843	3.4456	2.3606	4.1795	2.7684	2.9240	1.7485	2.3828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	103.016	N1	C3	H7	112.233
N1	C3	H9	111.041	N1	C4	C6	103.016
N1	C4	H8	112.233	N1	C4	H10	111.041
H2	N1	C3	112.500	H2	N1	C4	112.500
C3	N1	C4	105.372	C3	C5	C6	104.377
C3	C5	H11	110.292	C3	C5	H13	111.689
C4	C6	C5	104.377	C4	C6	H12	110.292
C4	C6	H14	111.689	C5	C3	H7	109.946
C5	C3	H9	112.857	C5	C6	H12	110.402
C5	C6	H14	112.605	C6	C4	H8	109.946
C6	C4	H10	112.857	C6	C5	H11	110.402
C6	C5	H13	112.605	H7	C3	H9	107.785
H8	C4	H10	107.785	H11	C5	H13	107.500
H12	C6	H14	107.500

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: HF/6-311G**

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	-0.482
2	H	0.182
3	C	-0.011
4	C	-0.011
5	C	-0.203
6	C	-0.203
7	H	0.073
8	H	0.073
9	H	0.090
10	H	0.090
11	H	0.105
12	H	0.105
13	H	0.097
14	H	0.097

	x	y	z	Total
	-1.004	-0.222	0.000	1.028
CHELPG
AIM
ESP

	x	y	z
x	6.385	-0.045	0.000
y	-0.045	7.223	0.000
z	0.000	0.000	7.602

<r²>	108.587
(<r²>)^1/2	10.421

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)