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	hartrees
Energy at 0K	-209.562572
Energy at 298.15K
HF Energy	-208.805129
Nuclear repulsion energy	160.323013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3667	3526
2	A₁	3280	3154
3	A₁	3258	3133
4	A₁	1525	1467
5	A₁	1451	1395
6	A₁	1177	1132
7	A₁	1119	1076
8	A₁	1053	1013
9	A₁	897	862
10	A₂	786	755
11	A₂	642	617
12	A₂	590	568
13	B₁	773	743
14	B₁	708	681
15	B₁	630	606
16	B₁	421	405
17	B₂	3274	3148
18	B₂	3247	3123
19	B₂	1593	1532
20	B₂	1494	1436
21	B₂	1324	1273
22	B₂	1185	1139
23	B₂	1085	1043
24	B₂	875	841

Atom	y (Å)	z (Å)
N1	0.000	1.125
H2	0.000	2.136
C3	1.128	0.333
C4	-1.128	0.333
C5	0.713	-0.986
C6	-0.713	-0.986
H7	2.120	0.771
H8	-2.120	0.771
H9	1.364	-1.854
H10	-1.364	-1.854

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0116	1.3785	1.3785	2.2279	2.2279	2.1492	2.1492	3.2763	3.2763
H2	1.0116		2.1273	2.1273	3.2026	3.2026	2.5215	2.5215	4.2171	4.2171
C3	1.3785	2.1273		2.2567	1.3825	2.2652	1.0841	3.2777	2.1996	3.3160
C4	1.3785	2.1273	2.2567		2.2652	1.3825	3.2777	1.0841	3.3160	2.1996
C5	2.2279	3.2026	1.3825	2.2652		1.4269	2.2506	3.3339	1.0850	2.2518
C6	2.2279	3.2026	2.2652	1.3825	1.4269		3.3339	2.2506	2.2518	1.0850
H7	2.1492	2.5215	1.0841	3.2777	2.2506	3.3339		4.2399	2.7317	4.3624
H8	2.1492	2.5215	3.2777	1.0841	3.3339	2.2506	4.2399		4.3624	2.7317
H9	3.2763	4.2171	2.1996	3.3160	1.0850	2.2518	2.7317	4.3624		2.7285
H10	3.2763	4.2171	3.3160	2.1996	2.2518	1.0850	4.3624	2.7317	2.7285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.595	N1	C3	H7	121.097
N1	C4	C6	107.595	N1	C4	H8	121.097
H2	N1	C3	125.061	H2	N1	C4	125.061
C3	N1	C4	109.879	C3	C5	C6	107.466
C3	C5	H9	125.677	C4	C6	C5	107.466
C4	C6	H10	125.677	C5	C3	H7	131.308
C5	C6	H10	126.858	C6	C4	H8	131.308
C6	C5	H9	126.858

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP4=FULL/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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All results from a given calculation for C4H5N (Pyrrole)

using model chemistry: MP4=FULL/6-31G*

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)