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	hartrees
Energy at 0K	-212.472502
Energy at 298.15K	-212.484027
HF Energy	-212.472502
Nuclear repulsion energy	190.508127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3548	3360	0.57
2	A'	3167	2999	47.88
3	A'	3132	2966	8.34
4	A'	3112	2947	35.93
5	A'	2997	2838	123.33
6	A'	1563	1481	1.12
7	A'	1533	1452	3.72
8	A'	1418	1343	2.81
9	A'	1339	1268	1.62
10	A'	1267	1200	1.86
11	A'	1244	1178	8.28
12	A'	1088	1030	0.70
13	A'	1025	970	3.39
14	A'	968	917	8.94
15	A'	928	879	10.91
16	A'	905	857	66.19
17	A'	775	734	22.19
18	A'	592	561	40.27
19	A'	316	299	4.47
20	A"	3149	2982	1.06
21	A"	3129	2963	60.90
22	A"	3104	2940	15.66
23	A"	2995	2836	38.05
24	A"	1543	1462	2.14
25	A"	1510	1430	0.59
26	A"	1456	1378	7.51
27	A"	1344	1273	13.86
28	A"	1323	1252	14.11
29	A"	1261	1194	6.25
30	A"	1219	1154	0.96
31	A"	1161	1100	10.47
32	A"	1125	1066	0.11
33	A"	953	903	0.19
34	A"	884	837	2.58
35	A"	637	603	0.64
36	A"	60	56	0.15

Atom	x (Å)	y (Å)	z (Å)
N1	0.534	-1.093	0.000
H2	0.425	-2.102	0.000
C3	-0.103	-0.469	1.155
C4	-0.103	-0.469	-1.155
C5	-0.103	1.022	0.776
C6	-0.103	1.022	-0.776
H7	-1.141	-0.814	1.311
H8	-1.141	-0.814	-1.311
H9	0.462	-0.675	2.069
H10	0.462	-0.675	-2.069
H11	0.797	1.509	1.157
H12	0.797	1.509	-1.157
H13	-0.967	1.542	1.195
H14	-0.967	1.542	-1.195

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0157	1.4588	1.4588	2.3403	2.3403	2.1458	2.1458	2.1122	2.1122	2.8594	2.8594	3.2596	3.2596
H2	1.0157		2.0686	2.0686	3.2618	3.2618	2.4153	2.4153	2.5140	2.5140	3.8104	3.8104	4.0805	4.0805
C3	1.4588	2.0686		2.3100	1.5385	2.4393	1.1050	2.6979	1.0942	3.2799	2.1735	3.1736	2.1900	3.2120
C4	1.4588	2.0686	2.3100		2.4393	1.5385	2.6979	1.1050	3.2799	1.0942	3.1736	2.1735	3.2120	2.1900
C5	2.3403	3.2618	1.5385	2.4393		1.5511	2.1755	2.9665	2.2072	3.3602	1.0926	2.1873	1.0927	2.2138
C6	2.3403	3.2618	2.4393	1.5385	1.5511		2.9665	2.1755	3.3602	2.2072	2.1873	1.0926	2.2138	1.0927
H7	2.1458	2.4153	1.1050	2.6979	2.1755	2.9665		2.6223	1.7789	3.7439	3.0292	3.9046	2.3653	3.4441
H8	2.1458	2.4153	2.6979	1.1050	2.9665	2.1755	2.6223		3.7439	1.7789	3.9046	3.0292	3.4441	2.3653
H9	2.1122	2.5140	1.0942	3.2799	2.2072	3.3602	1.7789	3.7439		4.1385	2.3903	3.9107	2.7793	4.1970
H10	2.1122	2.5140	3.2799	1.0942	3.3602	2.2072	3.7439	1.7789	4.1385		3.9107	2.3903	4.1970	2.7793
H11	2.8594	3.8104	2.1735	3.1736	1.0926	2.1873	3.0292	3.9046	2.3903	3.9107		2.3149	1.7652	2.9408
H12	2.8594	3.8104	3.1736	2.1735	2.1873	1.0926	3.9046	3.0292	3.9107	2.3903	2.3149		2.9408	1.7652
H13	3.2596	4.0805	2.1900	3.2120	1.0927	2.2138	2.3653	3.4441	2.7793	4.1970	1.7652	2.9408		2.3899
H14	3.2596	4.0805	3.2120	2.1900	2.2138	1.0927	3.4441	2.3653	4.1970	2.7793	2.9408	1.7652	2.3899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.629	N1	C3	H7	112.906
N1	C3	H9	110.841	N1	C4	C6	102.629
N1	C4	H8	112.906	N1	C4	H10	110.841
H2	N1	C3	112.193	H2	N1	C4	112.193
C3	N1	C4	104.696	C3	C5	C6	104.280
C3	C5	H11	110.243	C3	C5	H13	111.549
C4	C6	C5	104.280	C4	C6	H12	110.243
C4	C6	H14	111.549	C5	C3	H7	109.673
C5	C3	H9	112.846	C5	C6	H12	110.458
C5	C6	H14	112.570	C6	C4	H8	109.673
C6	C4	H10	112.846	C6	C5	H11	110.458
C6	C5	H13	112.570	H7	C3	H9	107.972
H8	C4	H10	107.972	H11	C5	H13	107.752
H12	C6	H14	107.752

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: M06-2X/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	-0.597
2	H	0.314
3	C	-0.157
4	C	-0.157
5	C	-0.314
6	C	-0.314
7	H	0.127
8	H	0.127
9	H	0.161
10	H	0.161
11	H	0.168
12	H	0.168
13	H	0.157
14	H	0.157

	x	y	z	Total
	-0.975	-0.256	0.000	1.008
CHELPG
AIM
ESP

	x	y	z
x	6.310	-0.079	0.000
y	-0.079	6.995	0.000
z	0.000	0.000	7.471

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: M06-2X/6-31G*

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)