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	hartrees
Energy at 0K	-212.484437
Energy at 298.15K	-212.495966
Nuclear repulsion energy	190.897400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3580	3424	0.54
2	A'	3149	3013	53.59
3	A'	3110	2975	6.99
4	A'	3094	2960	46.77
5	A'	2948	2820	165.88
6	A'	1529	1463	0.52
7	A'	1503	1438	6.12
8	A'	1393	1333	1.61
9	A'	1321	1263	2.03
10	A'	1252	1198	1.60
11	A'	1225	1172	7.05
12	A'	1079	1032	0.33
13	A'	1009	965	1.97
14	A'	959	917	10.77
15	A'	919	879	1.79
16	A'	878	840	67.26
17	A'	768	735	30.68
18	A'	573	548	53.17
19	A'	301	288	4.31
20	A"	3130	2994	0.52
21	A"	3106	2971	77.07
22	A"	3085	2951	16.88
23	A"	2946	2818	51.51
24	A"	1509	1444	0.39
25	A"	1482	1418	0.73
26	A"	1437	1375	11.09
27	A"	1326	1269	10.96
28	A"	1307	1250	15.01
29	A"	1245	1191	5.30
30	A"	1203	1151	0.83
31	A"	1147	1097	11.19
32	A"	1110	1062	0.05
33	A"	948	907	0.51
34	A"	875	837	2.70
35	A"	628	601	0.71
36	A"	87	84	0.10

Atom	x (Å)	y (Å)	z (Å)
N1	0.538	-1.087	0.000
H2	0.451	-2.097	0.000
C3	-0.104	-0.468	1.151
C4	-0.104	-0.468	-1.151
C5	-0.104	1.018	0.773
C6	-0.104	1.018	-0.773
H7	-1.143	-0.816	1.294
H8	-1.143	-0.816	-1.294
H9	0.450	-0.678	2.069
H10	0.450	-0.678	-2.069
H11	0.795	1.506	1.156
H12	0.795	1.506	-1.156
H13	-0.965	1.541	1.194
H14	-0.965	1.541	-1.194

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0136	1.4563	1.4563	2.3329	2.3329	2.1379	2.1379	2.1114	2.1114	2.8506	2.8506	3.2547	3.2547
H2	1.0136		2.0707	2.0707	3.2575	3.2575	2.4195	2.4195	2.5093	2.5093	3.7994	3.7994	4.0826	4.0826
C3	1.4563	2.0707		2.3026	1.5334	2.4314	1.1050	2.6791	1.0929	3.2748	2.1686	3.1664	2.1861	3.2060
C4	1.4563	2.0707	2.3026		2.4314	1.5334	2.6791	1.1050	3.2748	1.0929	3.1664	2.1686	3.2060	2.1861
C5	2.3329	3.2575	1.5334	2.4314		1.5464	2.1714	2.9522	2.2057	3.3564	1.0919	2.1834	1.0921	2.2104
C6	2.3329	3.2575	2.4314	1.5334	1.5464		2.9522	2.1714	3.3564	2.2057	2.1834	1.0919	2.2104	1.0921
H7	2.1379	2.4195	1.1050	2.6791	2.1714	2.9522		2.5871	1.7774	3.7238	3.0275	3.8918	2.3659	3.4317
H8	2.1379	2.4195	2.6791	1.1050	2.9522	2.1714	2.5871		3.7238	1.7774	3.8918	3.0275	3.4317	2.3659
H9	2.1114	2.5093	1.0929	3.2748	2.2057	3.3564	1.7774	3.7238		4.1390	2.3922	3.9104	2.7738	4.1929
H10	2.1114	2.5093	3.2748	1.0929	3.3564	2.2057	3.7238	1.7774	4.1390		3.9104	2.3922	4.1929	2.7738
H11	2.8506	3.7994	2.1686	3.1664	1.0919	2.1834	3.0275	3.8918	2.3922	3.9104		2.3118	1.7611	2.9365
H12	2.8506	3.7994	3.1664	2.1686	2.1834	1.0919	3.8918	3.0275	3.9104	2.3922	2.3118		2.9365	1.7611
H13	3.2547	4.0826	2.1861	3.2060	1.0921	2.2104	2.3659	3.4317	2.7738	4.1929	1.7611	2.9365		2.3885
H14	3.2547	4.0826	3.2060	2.1861	2.2104	1.0921	3.4317	2.3659	4.1929	2.7738	2.9365	1.7611	2.3885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.554	N1	C3	H7	112.445
N1	C3	H9	111.040	N1	C4	C6	102.554
N1	C4	H8	112.445	N1	C4	H10	111.040
H2	N1	C3	112.716	H2	N1	C4	112.716
C3	N1	C4	104.477	C3	C5	C6	104.275
C3	C5	H11	110.258	C3	C5	H13	111.645
C4	C6	C5	104.275	C4	C6	H12	110.258
C4	C6	H14	111.645	C5	C3	H7	109.712
C5	C3	H9	113.182	C5	C6	H12	110.517
C5	C6	H14	112.678	C6	C4	H8	109.712
C6	C4	H10	113.182	C6	C5	H11	110.517
C6	C5	H13	112.678	H7	C3	H9	107.932
H8	C4	H10	107.932	H11	C5	H13	107.492
H12	C6	H14	107.492

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: B1B95/6-31+G**

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	-0.377
2	H	0.292
3	C	-0.306
4	C	-0.306
5	C	-0.259
6	C	-0.259
7	H	0.136
8	H	0.136
9	H	0.150
10	H	0.150
11	H	0.166
12	H	0.166
13	H	0.155
14	H	0.155

	x	y	z	Total
	-0.993	-0.240	0.000	1.022
CHELPG
AIM
ESP

<r²>	108.589
(<r²>)^1/2	10.421

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)