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	hartrees
Energy at 0K	-212.477192
Energy at 298.15K	-212.488703
Nuclear repulsion energy	191.017093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3568	3407	0.73
2	A'	3157	3014	51.40
3	A'	3111	2970	13.68
4	A'	3098	2958	38.54
5	A'	2951	2818	141.43
6	A'	1539	1469	1.00
7	A'	1511	1443	4.18
8	A'	1404	1341	2.68
9	A'	1326	1266	1.30
10	A'	1256	1199	1.26
11	A'	1232	1176	7.22
12	A'	1081	1032	0.43
13	A'	1016	970	1.52
14	A'	962	919	8.61
15	A'	922	880	2.50
16	A'	886	846	66.01
17	A'	768	733	25.61
18	A'	572	546	47.50
19	A'	298	285	3.86
20	A"	3137	2996	0.10
21	A"	3104	2964	83.91
22	A"	3092	2952	6.53
23	A"	2948	2814	45.84
24	A"	1519	1450	1.77
25	A"	1489	1422	0.57
26	A"	1442	1376	6.53
27	A"	1331	1271	13.63
28	A"	1309	1250	13.15
29	A"	1250	1194	7.35
30	A"	1206	1152	0.64
31	A"	1151	1099	11.04
32	A"	1113	1063	0.04
33	A"	950	907	0.21
34	A"	877	837	2.80
35	A"	628	600	0.56
36	A"	78	74	0.13

Atom	x (Å)	y (Å)	z (Å)
N1	0.542	-1.084	0.000
H2	0.442	-2.093	0.000
C3	-0.104	-0.469	1.149
C4	-0.104	-0.469	-1.149
C5	-0.104	1.017	0.773
C6	-0.104	1.017	-0.773
H7	-1.144	-0.814	1.293
H8	-1.144	-0.814	-1.293
H9	0.446	-0.679	2.070
H10	0.446	-0.679	-2.070
H11	0.794	1.505	1.155
H12	0.794	1.505	-1.155
H13	-0.965	1.539	1.195
H14	-0.965	1.539	-1.195

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0140	1.4548	1.4548	2.3309	2.3309	2.1424	2.1424	2.1114	2.1114	2.8462	2.8462	3.2534	3.2534
H2	1.0140		2.0630	2.0630	3.2515	3.2515	2.4131	2.4131	2.5070	2.5070	3.7953	3.7953	4.0747	4.0747
C3	1.4548	2.0630		2.2975	1.5333	2.4294	1.1051	2.6765	1.0933	3.2720	2.1688	3.1640	2.1856	3.2044
C4	1.4548	2.0630	2.2975		2.4294	1.5333	2.6765	1.1051	3.2720	1.0933	3.1640	2.1688	3.2044	2.1856
C5	2.3309	3.2515	1.5333	2.4294		1.5456	2.1696	2.9503	2.2051	3.3557	1.0914	2.1821	1.0916	2.2103
C6	2.3309	3.2515	2.4294	1.5333	1.5456		2.9503	2.1696	3.3557	2.2051	2.1821	1.0914	2.2103	1.0916
H7	2.1424	2.4131	1.1051	2.6765	2.1696	2.9503		2.5865	1.7748	3.7225	3.0256	3.8896	2.3624	3.4297
H8	2.1424	2.4131	2.6765	1.1051	2.9503	2.1696	2.5865		3.7225	1.7748	3.8896	3.0256	3.4297	2.3624
H9	2.1114	2.5070	1.0933	3.2720	2.2051	3.3557	1.7748	3.7225		4.1396	2.3929	3.9101	2.7706	4.1917
H10	2.1114	2.5070	3.2720	1.0933	3.3557	2.2051	3.7225	1.7748	4.1396		3.9101	2.3929	4.1917	2.7706
H11	2.8462	3.7953	2.1688	3.1640	1.0914	2.1821	3.0256	3.8896	2.3929	3.9101		2.3100	1.7602	2.9359
H12	2.8462	3.7953	3.1640	2.1688	2.1821	1.0914	3.8896	3.0256	3.9101	2.3929	2.3100		2.9359	1.7602
H13	3.2534	4.0747	2.1856	3.2044	1.0916	2.2103	2.3624	3.4297	2.7706	4.1917	1.7602	2.9359		2.3901
H14	3.2534	4.0747	3.2044	2.1856	2.2103	1.0916	3.4297	2.3624	4.1917	2.7706	2.9359	1.7602	2.3901

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.498	N1	C3	H7	112.921
N1	C3	H9	111.122	N1	C4	C6	102.498
N1	C4	H8	112.921	N1	C4	H10	111.122
H2	N1	C3	112.126	H2	N1	C4	112.126
C3	N1	C4	104.300	C3	C5	C6	104.193
C3	C5	H11	110.306	C3	C5	H13	111.634
C4	C6	C5	104.193	C4	C6	H12	110.306
C4	C6	H14	111.634	C5	C3	H7	109.563
C5	C3	H9	113.113	C5	C6	H12	110.502
C5	C6	H14	112.757	C6	C4	H8	109.563
C6	C4	H10	113.113	C6	C5	H11	110.502
C6	C5	H13	112.757	H7	C3	H9	107.673
H8	C4	H10	107.673	H11	C5	H13	107.475
H12	C6	H14	107.475

All results from a given calculation for C₄H₉N (Pyrrolidine)

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

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	-0.520
2	H	0.248
3	C	-0.083
4	C	-0.083
5	C	-0.234
6	C	-0.234
7	H	0.091
8	H	0.091
9	H	0.116
10	H	0.116
11	H	0.130
12	H	0.130
13	H	0.115
14	H	0.115

	x	y	z	Total
	-0.888	-0.274	0.000	0.930
CHELPG
AIM
ESP

	x	y	z
x	6.386	-0.092	0.000
y	-0.092	7.132	0.000
z	0.000	0.000	7.600

<r²>	107.992
(<r²>)^1/2	10.392

All results from a given calculation for C4H9N (Pyrrolidine)

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

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)