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	hartrees
Energy at 0K	-211.161059
Energy at 298.15K	-211.172793
Nuclear repulsion energy	191.088162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3788	3419	1.08
2	A'	3269	2951	98.01
3	A'	3237	2922	8.59
4	A'	3221	2907	62.89
5	A'	3110	2807	153.76
6	A'	1671	1508	0.60
7	A'	1640	1480	2.24
8	A'	1539	1389	4.48
9	A'	1449	1308	1.47
10	A'	1371	1237	2.17
11	A'	1341	1210	11.22
12	A'	1149	1037	0.51
13	A'	1077	972	5.55
14	A'	1017	918	14.70
15	A'	962	869	19.29
16	A'	947	855	45.60
17	A'	830	749	25.41
18	A'	621	560	48.69
19	A'	301	272	4.44
20	A"	3246	2930	11.98
21	A"	3229	2915	99.83
22	A"	3208	2895	19.75
23	A"	3102	2800	43.68
24	A"	1653	1492	4.65
25	A"	1616	1459	0.32
26	A"	1581	1427	8.95
27	A"	1460	1318	10.81
28	A"	1441	1301	23.11
29	A"	1366	1233	5.46
30	A"	1320	1191	0.34
31	A"	1239	1118	10.84
32	A"	1202	1085	3.24
33	A"	998	900	0.02
34	A"	941	849	2.49
35	A"	686	620	1.08
36	A"	62	56	0.16

Atom	x (Å)	y (Å)	z (Å)
N1	0.510	-1.100	0.000
H2	0.398	-2.094	0.000
C3	-0.098	-0.467	1.157
C4	-0.098	-0.467	-1.157
C5	-0.098	1.021	0.775
C6	-0.098	1.021	-0.775
H7	-1.123	-0.808	1.328
H8	-1.123	-0.808	-1.328
H9	0.472	-0.671	2.056
H10	0.472	-0.671	-2.056
H11	0.794	1.507	1.153
H12	0.794	1.507	-1.153
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		0.9996	1.4526	1.4526	2.3391	2.3391	2.1254	2.1254	2.1010	2.1010	2.8650	2.8650	3.2466	3.2466
H2	0.9996		2.0572	2.0572	3.2480	3.2480	2.3941	2.3941	2.5015	2.5015	3.8014	3.8014	4.0572	4.0572
C3	1.4526	2.0572		2.3138	1.5362	2.4382	1.0940	2.7101	1.0845	3.2699	2.1657	3.1664	2.1831	3.2058
C4	1.4526	2.0572	2.3138		2.4382	1.5362	2.7101	1.0940	3.2699	1.0845	3.1664	2.1657	3.2058	2.1831
C5	2.3391	3.2480	1.5362	2.4382		1.5494	2.1689	2.9700	2.1983	3.3473	1.0838	2.1788	1.0843	2.2060
C6	2.3391	3.2480	2.4382	1.5362	1.5494		2.9700	2.1689	3.3473	2.1983	2.1788	1.0838	2.2060	1.0843
H7	2.1254	2.3941	1.0940	2.7101	2.1689	2.9700		2.6570	1.7590	3.7445	3.0108	3.8977	2.3599	3.4493
H8	2.1254	2.3941	2.7101	1.0940	2.9700	2.1689	2.6570		3.7445	1.7590	3.8977	3.0108	3.4493	2.3599
H9	2.1010	2.5015	1.0845	3.2699	2.1983	3.3473	1.7590	3.7445		4.1126	2.3799	3.8919	2.7710	4.1803
H10	2.1010	2.5015	3.2699	1.0845	3.3473	2.1983	3.7445	1.7590	4.1126		3.8919	2.3799	4.1803	2.7710
H11	2.8650	3.8014	2.1657	3.1664	1.0838	2.1788	3.0108	3.8977	2.3799	3.8919		2.3059	1.7480	2.9237
H12	2.8650	3.8014	3.1664	2.1657	2.1788	1.0838	3.8977	3.0108	3.8919	2.3799	2.3059		2.9237	1.7480
H13	3.2466	4.0572	2.1831	3.2058	1.0843	2.2060	2.3599	3.4493	2.7710	4.1803	1.7480	2.9237		2.3819
H14	3.2466	4.0572	3.2058	2.1831	2.2060	1.0843	3.4493	2.3599	4.1803	2.7710	2.9237	1.7480	2.3819

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.973	N1	C3	H7	112.391
N1	C3	H9	110.980	N1	C4	C6	102.973
N1	C4	H8	112.391	N1	C4	H10	110.980
H2	N1	C3	112.751	H2	N1	C4	112.751
C3	N1	C4	105.589	C3	C5	C6	104.407
C3	C5	H11	110.315	C3	C5	H13	111.679
C4	C6	C5	104.407	C4	C6	H12	110.315
C4	C6	H14	111.679	C5	C3	H7	109.957
C5	C3	H9	112.899	C5	C6	H12	110.426
C5	C6	H14	112.576	C6	C4	H8	109.957
C6	C4	H10	112.899	C6	C5	H11	110.426
C6	C5	H13	112.576	H7	C3	H9	107.689
H8	C4	H10	107.689	H11	C5	H13	107.465
H12	C6	H14	107.465

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: HF/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	CHELPG
1	N	-0.638	-0.029
2	H	0.266	-0.014
3	C	-0.026	0.256
4	C	-0.026	-0.029
5	C	-0.237	-0.014
6	C	-0.237	0.256
7	H	0.087	0.006
8	H	0.087	-0.023
9	H	0.119	0.023
10	H	0.119	0.006
11	H	0.128	-0.023
12	H	0.128	0.023
13	H	0.116	-0.796
14	H	0.116	0.355

	x	y	z	Total
	-1.035	-0.202	0.000	1.055
CHELPG
AIM
ESP

	x	y	z
x	6.117	0.049	0.000
y	0.049	6.800	0.000
z	0.000	0.000	7.213

<r²>	108.521
(<r²>)^1/2	10.417

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)