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	hartrees
Energy at 0K	-211.495999
Energy at 298.15K	-211.507473
HF Energy	-211.495999
Nuclear repulsion energy	191.741608

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3472	3432	1.90
2	A'	3062	3026	30.96
3	A'	3020	2986	5.50
4	A'	3007	2972	31.59
5	A'	2829	2796	158.33
6	A'	1457	1440	0.94
7	A'	1432	1415	12.74
8	A'	1340	1324	0.21
9	A'	1271	1257	2.98
10	A'	1209	1195	2.52
11	A'	1186	1172	7.09
12	A'	1059	1046	0.19
13	A'	996	985	3.41
14	A'	948	938	11.07
15	A'	911	901	1.82
16	A'	849	840	60.32
17	A'	736	728	42.11
18	A'	568	561	63.55
19	A'	313	310	4.38
20	A"	3043	3008	0.01
21	A"	3016	2981	57.38
22	A"	3000	2966	9.26
23	A"	2828	2795	47.77
24	A"	1436	1419	0.33
25	A"	1411	1395	0.96
26	A"	1385	1369	13.80
27	A"	1274	1260	8.72
28	A"	1252	1237	20.21
29	A"	1199	1185	4.84
30	A"	1164	1151	3.12
31	A"	1126	1113	6.48
32	A"	1078	1066	0.31
33	A"	937	926	1.21
34	A"	855	845	3.24
35	A"	619	612	0.45
36	A"	89	88	0.07

Atom	x (Å)	y (Å)	z (Å)
N1	0.527	-1.085	0.000
H2	0.438	-2.101	0.000
C3	-0.101	-0.464	1.146
C4	-0.101	-0.464	-1.146
C5	-0.101	1.011	0.768
C6	-0.101	1.011	-0.768
H7	-1.147	-0.808	1.302
H8	-1.147	-0.808	-1.302
H9	0.467	-0.666	2.065
H10	0.467	-0.666	-2.065
H11	0.803	1.502	1.152
H12	0.803	1.502	-1.152
H13	-0.971	1.533	1.189
H14	-0.971	1.533	-1.189

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0203	1.4466	1.4466	2.3191	2.3191	2.1386	2.1386	2.1081	2.1081	2.8447	2.8447	3.2423	3.2423
H2	1.0203		2.0696	2.0696	3.2508	3.2508	2.4246	2.4246	2.5152	2.5152	3.8001	3.8001	4.0753	4.0753
C3	1.4466	2.0696		2.2910	1.5227	2.4162	1.1118	2.6833	1.0999	3.2669	2.1637	3.1559	2.1787	3.1932
C4	1.4466	2.0696	2.2910		2.4162	1.5227	2.6833	1.1118	3.2669	1.0999	3.1559	2.1637	3.1932	2.1787
C5	2.3191	3.2508	1.5227	2.4162		1.5363	2.1650	2.9472	2.1950	3.3412	1.0980	2.1782	1.0981	2.2046
C6	2.3191	3.2508	2.4162	1.5227	1.5363		2.9472	2.1650	3.3412	2.1950	2.1782	1.0980	2.2046	1.0981
H7	2.1386	2.4246	1.1118	2.6833	2.1650	2.9472		2.6031	1.7913	3.7364	3.0264	3.8931	2.3505	3.4230
H8	2.1386	2.4246	2.6833	1.1118	2.9472	2.1650	2.6031		3.7364	1.7913	3.8931	3.0264	3.4230	2.3505
H9	2.1081	2.5152	1.0999	3.2669	2.1950	3.3412	1.7913	3.7364		4.1304	2.3761	3.8937	2.7696	4.1828
H10	2.1081	2.5152	3.2669	1.0999	3.3412	2.1950	3.7364	1.7913	4.1304		3.8937	2.3761	4.1828	2.7696
H11	2.8447	3.8001	2.1637	3.1559	1.0980	2.1782	3.0264	3.8931	2.3761	3.8937		2.3036	1.7743	2.9374
H12	2.8447	3.8001	3.1559	2.1637	2.1782	1.0980	3.8931	3.0264	3.8937	2.3761	2.3036		2.9374	1.7743
H13	3.2423	4.0753	2.1787	3.1932	1.0981	2.2046	2.3505	3.4230	2.7696	4.1828	1.7743	2.9374		2.3788
H14	3.2423	4.0753	3.1932	2.1787	2.2046	1.0981	3.4230	2.3505	4.1828	2.7696	2.9374	1.7743	2.3788

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.679	N1	C3	H7	112.771
N1	C3	H9	111.031	N1	C4	C6	102.679
N1	C4	H8	112.771	N1	C4	H10	111.031
H2	N1	C3	112.920	H2	N1	C4	112.920
C3	N1	C4	104.725	C3	C5	C6	104.349
C3	C5	H11	110.254	C3	C5	H13	111.441
C4	C6	C5	104.349	C4	C6	H12	110.254
C4	C6	H14	111.441	C5	C3	H7	109.537
C5	C3	H9	112.649	C5	C6	H12	110.453
C5	C6	H14	112.560	C6	C4	H8	109.537
C6	C4	H10	112.649	C6	C5	H11	110.453
C6	C5	H13	112.560	H7	C3	H9	108.176
H8	C4	H10	108.176	H11	C5	H13	107.793
H12	C6	H14	107.793

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: SVWN/TZVP

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	-0.308
2	H	0.235
3	C	-0.309
4	C	-0.309
5	C	-0.330
6	C	-0.330
7	H	0.154
8	H	0.154
9	H	0.175
10	H	0.175
11	H	0.180
12	H	0.180
13	H	0.167
14	H	0.167

	x	y	z	Total
	-0.793	-0.343	0.000	0.864
CHELPG
AIM
ESP

	x	y	z
x	7.721	-0.063	0.000
y	-0.063	8.408	0.000
z	0.000	0.000	8.880

<r²>	107.840
(<r²>)^1/2	10.385

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: SVWN/TZVP

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)