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	hartrees
Energy at 0K	-209.581546
Energy at 298.15K
HF Energy	-208.846681
Nuclear repulsion energy	160.515083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3723	3564	56.45
2	A₁	3272	3132	0.37
3	A₁	3249	3111	5.92
4	A₁	1530	1465	8.54
5	A₁	1443	1382	4.97
6	A₁	1184	1134	2.93
7	A₁	1106	1059	13.00
8	A₁	1044	1000	28.36
9	A₁	903	865	0.30
10	A₂	795	761	0.00
11	A₂	670	641	0.00
12	A₂	599	574	0.00
13	B₁	795	761	3.33
14	B₁	723	692	173.70
15	B₁	632	605	0.50
16	B₁	402	385	85.93
17	B₂	3265	3126	8.54
18	B₂	3238	3100	3.00
19	B₂	1605	1537	6.05
20	B₂	1500	1436	10.39
21	B₂	1321	1265	1.00
22	B₂	1181	1131	1.82
23	B₂	1081	1035	22.26
24	B₂	881	844	1.52

Atom	y (Å)	z (Å)
N1	0.000	1.124
H2	0.000	2.129
C3	1.126	0.332
C4	-1.126	0.332
C5	0.716	-0.985
C6	-0.716	-0.985
H7	2.117	0.767
H8	-2.117	0.767
H9	1.367	-1.851
H10	-1.367	-1.851

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0048	1.3760	1.3760	2.2268	2.2268	2.1467	2.1467	3.2737	3.2737
H2	1.0048		2.1198	2.1198	3.1946	3.1946	2.5168	2.5168	4.2077	4.2077
C3	1.3760	2.1198		2.2512	1.3793	2.2642	1.0825	3.2715	2.1965	3.3134
C4	1.3760	2.1198	2.2512		2.2642	1.3793	3.2715	1.0825	3.3134	2.1965
C5	2.2268	3.1946	1.3793	2.2642		1.4322	2.2431	3.3310	1.0834	2.2559
C6	2.2268	3.1946	2.2642	1.3793	1.4322		3.3310	2.2431	2.2559	1.0834
H7	2.1467	2.5168	1.0825	3.2715	2.2431	3.3310		4.2338	2.7234	4.3579
H8	2.1467	2.5168	3.2715	1.0825	3.3310	2.2431	4.2338		4.3579	2.7234
H9	3.2737	4.2077	2.1965	3.3134	1.0834	2.2559	2.7234	4.3579		2.7338
H10	3.2737	4.2077	3.3134	2.1965	2.2559	1.0834	4.3579	2.7234	2.7338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.843	N1	C3	H7	121.198
N1	C4	C6	107.843	N1	C4	H8	121.198
H2	N1	C3	125.113	H2	N1	C4	125.113
C3	N1	C4	109.774	C3	C5	C6	107.270
C3	C5	H9	125.808	C4	C6	C5	107.270
C4	C6	H10	125.808	C5	C3	H7	130.959
C5	C6	H10	126.921	C6	C4	H8	130.959
C6	C5	H9	126.921

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: QCISD/6-311G*

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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All results from a given calculation for C4H5N (Pyrrole)

using model chemistry: QCISD/6-311G*

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)