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	hartrees
Energy at 0K	-211.313839
Energy at 298.15K
HF Energy	-211.313839
Nuclear repulsion energy	188.692998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3481	3297	0.24
2	A'	3145	2979	30.47
3	A'	3117	2953	4.52
4	A'	3088	2925	24.59
5	A'	2975	2818	96.96
6	A'	1586	1502	2.79
7	A'	1553	1471	6.58
8	A'	1420	1345	0.08
9	A'	1345	1274	4.82
10	A'	1252	1186	0.32
11	A'	1248	1182	5.36
12	A'	1081	1024	0.99
13	A'	1025	971	5.39
14	A'	950	900	2.08
15	A'	899	851	1.37
16	A'	839	794	33.14
17	A'	734	696	46.54
18	A'	554	525	97.17
19	A'	288	273	4.74
20	A"	3126	2961	5.48
21	A"	3111	2947	30.43
22	A"	3079	2916	13.54
23	A"	2973	2816	32.22
24	A"	1567	1485	0.48
25	A"	1532	1451	1.69
26	A"	1461	1384	5.54
27	A"	1361	1289	0.22
28	A"	1339	1269	23.21
29	A"	1278	1211	7.17
30	A"	1217	1152	0.21
31	A"	1140	1080	11.04
32	A"	1125	1065	2.47
33	A"	932	883	0.66
34	A"	891	844	2.76
35	A"	647	613	0.96
36	A"	43i	41i	0.17

Atom	x (Å)	y (Å)	z (Å)
N1	0.543	-1.099	0.000
H2	0.511	-2.122	0.000
C3	-0.108	-0.474	1.176
C4	-0.108	-0.474	-1.176
C5	-0.108	1.030	0.784
C6	-0.108	1.030	-0.784
H7	-1.149	-0.812	1.320
H8	-1.149	-0.812	-1.320
H9	0.462	-0.671	2.086
H10	0.462	-0.671	-2.086
H11	0.800	1.508	1.155
H12	0.800	1.508	-1.155
H13	-0.976	1.548	1.196
H14	-0.976	1.548	-1.196

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0232	1.4825	1.4825	2.3608	2.3608	2.1652	2.1652	2.1315	2.1315	2.8638	2.8638	3.2783	3.2783
H2	1.0232		2.1173	2.1173	3.3068	3.3068	2.4930	2.4930	2.5422	2.5422	3.8208	3.8208	4.1368	4.1368
C3	1.4825	2.1173		2.3519	1.5543	2.4707	1.1039	2.7257	1.0921	3.3176	2.1806	3.1921	2.2006	3.2357
C4	1.4825	2.1173	2.3519		2.4707	1.5543	2.7257	1.1039	3.3176	1.0921	3.1921	2.1806	3.2357	2.2006
C5	2.3608	3.3068	1.5543	2.4707		1.5683	2.1830	2.9844	2.2165	3.3848	1.0915	2.1943	1.0918	2.2236
C6	2.3608	3.3068	2.4707	1.5543	1.5683		2.9844	2.1830	3.3848	2.2165	2.1943	1.0915	2.2236	1.0918
H7	2.1652	2.4930	1.1039	2.7257	2.1830	2.9844		2.6409	1.7894	3.7712	3.0351	3.9133	2.3698	3.4546
H8	2.1652	2.4930	2.7257	1.1039	2.9844	2.1830	2.6409		3.7712	1.7894	3.9133	3.0351	3.4546	2.3698
H9	2.1315	2.5422	1.0921	3.3176	2.2165	3.3848	1.7894	3.7712		4.1728	2.3935	3.9205	2.7898	4.2150
H10	2.1315	2.5422	3.3176	1.0921	3.3848	2.2165	3.7712	1.7894	4.1728		3.9205	2.3935	4.2150	2.7898
H11	2.8638	3.8208	2.1806	3.1921	1.0915	2.1943	3.0351	3.9133	2.3935	3.9205		2.3106	1.7775	2.9475
H12	2.8638	3.8208	3.1921	2.1806	2.1943	1.0915	3.9133	3.0351	3.9205	2.3935	2.3106		2.9475	1.7775
H13	3.2783	4.1368	2.2006	3.2357	1.0918	2.2236	2.3698	3.4546	2.7898	4.2150	1.7775	2.9475		2.3925
H14	3.2783	4.1368	3.2357	2.2006	2.2236	1.0918	3.4546	2.3698	4.2150	2.7898	2.9475	1.7775	2.3925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.019	N1	C3	H7	112.863
N1	C3	H9	110.862	N1	C4	C6	102.019
N1	C4	H8	112.863	N1	C4	H10	110.862
H2	N1	C3	114.083	H2	N1	C4	114.083
C3	N1	C4	104.979	C3	C5	C6	104.601
C3	C5	H11	109.774	C3	C5	H13	111.335
C4	C6	C5	104.601	C4	C6	H12	109.774
C4	C6	H14	111.335	C5	C3	H7	109.244
C5	C3	H9	112.599	C5	C6	H12	109.879
C5	C6	H14	112.177	C6	C4	H8	109.244
C6	C4	H10	112.599	C6	C5	H11	109.879
C6	C5	H13	112.177	H7	C3	H9	109.150
H8	C4	H10	109.150	H11	C5	H13	109.002
H12	C6	H14	109.002

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: M06-2X/3-21G*

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	-0.595
2	H	0.278
3	C	-0.235
4	C	-0.235
5	C	-0.398
6	C	-0.398
7	H	0.171
8	H	0.171
9	H	0.207
10	H	0.207
11	H	0.215
12	H	0.215
13	H	0.198
14	H	0.198

	x	y	z	Total
	-0.995	-0.301	0.000	1.039
CHELPG
AIM
ESP

	x	y	z
x	5.818	-0.148	0.000
y	-0.148	6.607	0.000
z	0.000	0.000	7.061

<r²>	110.410
(<r²>)^1/2	10.508

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: M06-2X/3-21G*

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)