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	hartrees
Energy at 0K	-209.803413
Energy at 298.15K
HF Energy	-208.890201
Nuclear repulsion energy	160.648413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3689	3689
2	A₁	3279	3279
3	A₁	3258	3258
4	A₁	1497	1497
5	A₁	1416	1416
6	A₁	1160	1160
7	A₁	1096	1096
8	A₁	1032	1032
9	A₁	886	886
10	A₂	834	834
11	A₂	671	671
12	A₂	606	606
13	B₁	812	812
14	B₁	725	725
15	B₁	635	635
16	B₁	447	447
17	B₂	3272	3272
18	B₂	3247	3247
19	B₂	1557	1557
20	B₂	1457	1457
21	B₂	1305	1305
22	B₂	1158	1158
23	B₂	1061	1061
24	B₂	864	864

Atom	y (Å)	z (Å)
N1	0.000	1.123
H2	0.000	2.127
C3	1.126	0.333
C4	-1.126	0.333
C5	0.713	-0.986
C6	-0.713	-0.986
H7	2.111	0.769
H8	-2.111	0.769
H9	1.361	-1.848
H10	-1.361	-1.848

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0041	1.3750	1.3750	2.2261	2.2261	2.1408	2.1408	3.2675	3.2675
H2	1.0041		2.1176	2.1176	3.1935	3.1935	2.5105	2.5105	4.2013	4.2013
C3	1.3750	2.1176		2.2517	1.3824	2.2633	1.0773	3.2663	2.1939	3.3076
C4	1.3750	2.1176	2.2517		2.2633	1.3824	3.2663	1.0773	3.3076	2.1939
C5	2.2261	3.1935	1.3824	2.2633		1.4264	2.2435	3.3251	1.0780	2.2458
C6	2.2261	3.1935	2.2633	1.3824	1.4264		3.3251	2.2435	2.2458	1.0780
H7	2.1408	2.5105	1.0773	3.2663	2.2435	3.3251		4.2226	2.7220	4.3474
H8	2.1408	2.5105	3.2663	1.0773	3.3251	2.2435	4.2226		4.3474	2.7220
H9	3.2675	4.2013	2.1939	3.3076	1.0780	2.2458	2.7220	4.3474		2.7212
H10	3.2675	4.2013	3.3076	2.1939	2.2458	1.0780	4.3474	2.7220	2.7212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.670	N1	C3	H7	121.137
N1	C4	C6	107.670	N1	C4	H8	121.137
H2	N1	C3	125.038	H2	N1	C4	125.038
C3	N1	C4	109.925	C3	C5	C6	107.367
C3	C5	H9	125.722	C4	C6	C5	107.367
C4	C6	H10	125.722	C5	C3	H7	131.193
C5	C6	H10	126.911	C6	C4	H8	131.193
C6	C5	H9	126.911

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP4/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)