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	hartrees
Energy at 0K	-212.617212
Energy at 298.15K	-212.628712
HF Energy	-212.617212
Nuclear repulsion energy	189.792668

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3518	3386	0.18
2	A'	3126	3008	67.62
3	A'	3091	2975	5.92
4	A'	3074	2959	56.26
5	A'	2931	2821	178.92
6	A'	1545	1487	0.43
7	A'	1520	1463	3.42
8	A'	1395	1343	2.71
9	A'	1321	1272	1.43
10	A'	1248	1201	1.01
11	A'	1225	1179	7.09
12	A'	1066	1026	0.58
13	A'	1001	963	3.52
14	A'	941	906	5.77
15	A'	901	867	2.59
16	A'	873	841	66.88
17	A'	765	736	30.87
18	A'	570	548	50.29
19	A'	295	284	4.43
20	A"	3106	2989	2.79
21	A"	3087	2971	83.15
22	A"	3064	2949	21.65
23	A"	2927	2817	55.04
24	A"	1525	1468	1.41
25	A"	1500	1444	0.53
26	A"	1435	1381	7.31
27	A"	1329	1280	5.38
28	A"	1309	1260	16.85
29	A"	1249	1202	6.67
30	A"	1202	1157	0.35
31	A"	1131	1088	11.43
32	A"	1103	1062	3.52
33	A"	933	898	0.28
34	A"	870	838	3.21
35	A"	626	603	0.87
36	A"	87	84	0.11

Atom	x (Å)	y (Å)	z (Å)
N1	0.526	-1.101	0.000
H2	0.426	-2.114	0.000
C3	-0.101	-0.469	1.164
C4	-0.101	-0.469	-1.164
C5	-0.101	1.025	0.779
C6	-0.101	1.025	-0.779
H7	-1.140	-0.813	1.330
H8	-1.140	-0.813	-1.330
H9	0.472	-0.675	2.074
H10	0.472	-0.675	-2.074
H11	0.798	1.516	1.161
H12	0.798	1.516	-1.161
H13	-0.967	1.547	1.197
H14	-0.967	1.547	-1.197

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0172	1.4658	1.4658	2.3501	2.3501	2.1510	2.1510	2.1183	2.1183	2.8762	2.8762	3.2676	3.2676
H2	1.0172		2.0826	2.0826	3.2769	3.2769	2.4313	2.4313	2.5246	2.5246	3.8288	3.8288	4.0958	4.0958
C3	1.4658	2.0826		2.3288	1.5436	2.4516	1.1065	2.7240	1.0947	3.2954	2.1794	3.1873	2.1948	3.2239
C4	1.4658	2.0826	2.3288		2.4516	1.5436	2.7240	1.1065	3.2954	1.0947	3.1873	2.1794	3.2239	2.1948
C5	2.3501	3.2769	1.5436	2.4516		1.5577	2.1825	2.9845	2.2132	3.3705	1.0937	2.1942	1.0939	2.2196
C6	2.3501	3.2769	2.4516	1.5436	1.5577		2.9845	2.1825	3.3705	2.2132	2.1942	1.0937	2.2196	1.0939
H7	2.1510	2.4313	1.1065	2.7240	2.1825	2.9845		2.6604	1.7803	3.7692	3.0347	3.9229	2.3707	3.4628
H8	2.1510	2.4313	2.7240	1.1065	2.9845	2.1825	2.6604		3.7692	1.7803	3.9229	3.0347	3.4628	2.3707
H9	2.1183	2.5246	1.0947	3.2954	2.2132	3.3705	1.7803	3.7692		4.1485	2.3958	3.9213	2.7889	4.2085
H10	2.1183	2.5246	3.2954	1.0947	3.3705	2.2132	3.7692	1.7803	4.1485		3.9213	2.3958	4.2085	2.7889
H11	2.8762	3.8288	2.1794	3.1873	1.0937	2.1942	3.0347	3.9229	2.3958	3.9213		2.3228	1.7658	2.9462
H12	2.8762	3.8288	3.1873	2.1794	2.1942	1.0937	3.9229	3.0347	3.9213	2.3958	2.3228		2.9462	1.7658
H13	3.2676	4.0958	2.1948	3.2239	1.0939	2.2196	2.3707	3.4628	2.7889	4.2085	1.7658	2.9462		2.3945
H14	3.2676	4.0958	3.2239	2.1948	2.2196	1.0939	3.4628	2.3707	4.2085	2.7889	2.9462	1.7658	2.3945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.660	N1	C3	H7	112.733
N1	C3	H9	110.810	N1	C4	C6	102.660
N1	C4	H8	112.733	N1	C4	H10	110.810
H2	N1	C3	112.772	H2	N1	C4	112.772
C3	N1	C4	105.196	C3	C5	C6	104.465
C3	C5	H11	110.285	C3	C5	H13	111.500
C4	C6	C5	104.465	C4	C6	H12	110.285
C4	C6	H14	111.500	C5	C3	H7	109.781
C5	C3	H9	112.937	C5	C6	H12	110.475
C5	C6	H14	112.488	C6	C4	H8	109.781
C6	C4	H10	112.937	C6	C5	H11	110.475
C6	C5	H13	112.488	H7	C3	H9	107.950
H8	C4	H10	107.950	H11	C5	H13	107.647
H12	C6	H14	107.647

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: TPSSh/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	-0.357
2	H	0.292
3	C	-0.312
4	C	-0.312
5	C	-0.249
6	C	-0.249
7	H	0.131
8	H	0.131
9	H	0.149
10	H	0.149
11	H	0.162
12	H	0.162
13	H	0.151
14	H	0.151

	x	y	z	Total
	-1.028	-0.207	0.000	1.048
CHELPG
AIM
ESP

	x	y	z
x	7.483	-0.129	0.000
y	-0.129	8.044	0.000
z	0.000	0.000	8.509

<r²>	109.716
(<r²>)^1/2	10.475

All results from a given calculation for C4H9N (Pyrrolidine)

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

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)