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	hartrees
Energy at 0K	-211.295287
Energy at 298.15K	-211.306558
Nuclear repulsion energy	186.734879

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3260	8.89
2	A'	3068	3048	55.24
3	A'	3024	3004	16.85
4	A'	3010	2990	33.83
5	A'	2848	2829	148.50
6	A'	1544	1534	1.65
7	A'	1520	1511	3.64
8	A'	1371	1362	0.46
9	A'	1306	1297	2.92
10	A'	1210	1202	2.68
11	A'	1201	1193	1.07
12	A'	1037	1030	1.51
13	A'	995	989	10.38
14	A'	896	890	0.07
15	A'	851	845	0.58
16	A'	812	807	21.60
17	A'	710	706	44.78
18	A'	538	535	82.06
19	A'	281	279	4.40
20	A"	3045	3025	0.76
21	A"	3013	2993	81.53
22	A"	3005	2985	0.28
23	A"	2839	2821	51.13
24	A"	1526	1516	2.49
25	A"	1504	1494	0.97
26	A"	1409	1400	1.07
27	A"	1323	1315	0.15
28	A"	1294	1285	15.23
29	A"	1238	1230	12.75
30	A"	1173	1165	0.02
31	A"	1093	1086	5.89
32	A"	1038	1031	11.88
33	A"	884	878	0.65
34	A"	856	851	4.22
35	A"	628	624	1.34
36	A"	50	49	0.16

Atom	x (Å)	y (Å)	z (Å)
N1	0.558	-1.113	0.000
H2	0.462	-2.145	0.000
C3	-0.109	-0.477	1.188
C4	-0.109	-0.477	-1.188
C5	-0.109	1.040	0.793
C6	-0.109	1.040	-0.793
H7	-1.160	-0.815	1.343
H8	-1.160	-0.815	-1.343
H9	0.468	-0.677	2.105
H10	0.468	-0.677	-2.105
H11	0.803	1.527	1.168
H12	0.803	1.527	-1.168
H13	-0.987	1.558	1.206
H14	-0.987	1.558	-1.206

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14
N1		1.0366	1.5034	1.5034	2.3888	2.3888	2.2001	2.2001	2.1514	2.1514	2.8967	2.8967	3.3126	3.3126
H2	1.0366		2.1259	2.1259	3.3313	3.3313	2.4904	2.4904	2.5664	2.5664	3.8680	3.8680	4.1554	4.1554
C3	1.5034	2.1259		2.3769	1.5681	2.4954	1.1145	2.7612	1.1010	3.3493	2.2021	3.2249	2.2169	3.2629
C4	1.5034	2.1259	2.3769		2.4954	1.5681	2.7612	1.1145	3.3493	1.1010	3.2249	2.2021	3.2629	2.2169
C5	2.3888	3.3313	1.5681	2.4954		1.5853	2.2019	3.0174	2.2362	3.4167	1.0997	2.2161	1.1002	2.2436
C6	2.3888	3.3313	2.4954	1.5681	1.5853		3.0174	2.2019	3.4167	2.2362	2.2161	1.0997	2.2436	1.1002
H7	2.2001	2.4904	1.1145	2.7612	2.2019	3.0174		2.6851	1.8027	3.8148	3.0608	3.9546	2.3835	3.4866
H8	2.2001	2.4904	2.7612	1.1145	3.0174	2.2019	2.6851		3.8148	1.8027	3.9546	3.0608	3.4866	2.3835
H9	2.1514	2.5664	1.1010	3.3493	2.2362	3.4167	1.8027	3.8148		4.2096	2.4177	3.9593	2.8140	4.2510
H10	2.1514	2.5664	3.3493	1.1010	3.4167	2.2362	3.8148	1.8027	4.2096		3.9593	2.4177	4.2510	2.8140
H11	2.8967	3.8680	2.2021	3.2249	1.0997	2.2161	3.0608	3.9546	2.4177	3.9593		2.3353	1.7907	2.9729
H12	2.8967	3.8680	3.2249	2.2021	2.2161	1.0997	3.9546	3.0608	3.9593	2.4177	2.3353		2.9729	1.7907
H13	3.3126	4.1554	2.2169	3.2629	1.1002	2.2436	2.3835	3.4866	2.8140	4.2510	1.7907	2.9729		2.4117
H14	3.3126	4.1554	3.2629	2.2169	2.2436	1.1002	3.4866	2.3835	4.2510	2.8140	2.9729	1.7907	2.4117

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	102.085	N1	C3	H7	113.529
N1	C3	H9	110.440	N1	C4	C6	102.085
N1	C4	H8	113.529	N1	C4	H10	110.440
H2	N1	C3	112.339	H2	N1	C4	112.339
C3	N1	C4	104.461	C3	C5	C6	104.620
C3	C5	H11	110.027	C3	C5	H13	111.158
C4	C6	C5	104.620	C4	C6	H12	110.027
C4	C6	H14	111.158	C5	C3	H7	109.162
C5	C3	H9	112.647	C5	C6	H12	109.938
C5	C6	H14	112.060	C6	C4	H8	109.162
C6	C4	H10	112.647	C6	C5	H11	109.938
C6	C5	H13	112.060	H7	C3	H9	108.913
H8	C4	H10	108.913	H11	C5	H13	108.978
H12	C6	H14	108.978

All results from a given calculation for C₄H₉N (Pyrrolidine)

using model chemistry: BLYP/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	-0.502
2	H	0.248
3	C	-0.214
4	C	-0.214
5	C	-0.342
6	C	-0.342
7	H	0.147
8	H	0.147
9	H	0.178
10	H	0.178
11	H	0.187
12	H	0.187
13	H	0.171
14	H	0.171

	x	y	z	Total
	-0.915	-0.285	0.000	0.958
CHELPG
AIM
ESP

<r²>	112.342
(<r²>)^1/2	10.599

All results from a given calculation for C4H9N (Pyrrolidine)

using model chemistry: BLYP/3-21G*

States and conformations

All results from a given calculation for C₄H₉N (Pyrrolidine)