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	hartrees
Energy at 0K	-209.671051
Energy at 298.15K
HF Energy	-208.875085
Nuclear repulsion energy	160.460040

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3682	3545
2	A₁	3289	3167
3	A₁	3268	3146
4	A₁	1501	1445
5	A₁	1418	1366
6	A₁	1160	1117
7	A₁	1100	1060
8	A₁	1037	998
9	A₁	889	856
10	A₂	668	644
11	A₂	527	507
12	A₂	418i	402i
13	B₁	688	662
14	B₁	636	613
15	B₁	544	523
16	B₁	132i	127i
17	B₂	3283	3161
18	B₂	3257	3136
19	B₂	1565	1507
20	B₂	1460	1406
21	B₂	1314	1265
22	B₂	1166	1123
23	B₂	1067	1028
24	B₂	869	837

Atom	y (Å)	z (Å)
N1	0.000	1.125
H2	0.000	2.132
C3	1.128	0.332
C4	-1.128	0.332
C5	0.714	-0.986
C6	-0.714	-0.986
H7	2.114	0.768
H8	-2.114	0.768
H9	1.361	-1.850
H10	-1.361	-1.850

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0071	1.3786	1.3786	2.2286	2.2286	2.1444	2.1444	3.2718	3.2718
H2	1.0071		2.1241	2.1241	3.1989	3.1989	2.5163	2.5163	4.2084	4.2084
C3	1.3786	2.1241		2.2553	1.3817	2.2646	1.0788	3.2713	2.1946	3.3100
C4	1.3786	2.1241	2.2553		2.2646	1.3817	3.2713	1.0788	3.3100	2.1946
C5	2.2286	3.1989	1.3817	2.2646		1.4275	2.2448	3.3281	1.0796	2.2476
C6	2.2286	3.1989	2.2646	1.3817	1.4275		3.3281	2.2448	2.2476	1.0796
H7	2.1444	2.5163	1.0788	3.2713	2.2448	3.3281		4.2290	2.7243	4.3514
H8	2.1444	2.5163	3.2713	1.0788	3.3281	2.2448	4.2290		4.3514	2.7243
H9	3.2718	4.2084	2.1946	3.3100	1.0796	2.2476	2.7243	4.3514		2.7224
H10	3.2718	4.2084	3.3100	2.1946	2.2476	1.0796	4.3514	2.7243	2.7224

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.684	N1	C3	H7	121.048
N1	C4	C6	107.684	N1	C4	H8	121.048
H2	N1	C3	125.117	H2	N1	C4	125.117
C3	N1	C4	109.767	C3	C5	C6	107.432
C3	C5	H9	125.719	C4	C6	C5	107.432
C4	C6	H10	125.719	C5	C3	H7	131.267
C5	C6	H10	126.849	C6	C4	H8	131.267
C6	C5	H9	126.849

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP4/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)