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	hartrees
Energy at 0K	-209.545709
Energy at 298.15K	-209.551755
HF Energy	-208.818657
Nuclear repulsion energy	161.070428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3815	3550	71.73
2	A₁	3374	3140	0.33
3	A₁	3352	3119	4.88
4	A₁	1571	1462	12.58
5	A₁	1484	1381	6.23
6	A₁	1209	1125	3.25
7	A₁	1131	1053	11.34
8	A₁	1072	998	24.46
9	A₁	914	850	0.31
10	A₂	828	771	0.00
11	A₂	684	637	0.00
12	A₂	600	558	0.00
13	B₁	819	762	6.35
14	B₁	738	686	127.80
15	B₁	639	595	1.91
16	B₁	452	420	82.84
17	B₂	3367	3133	7.38
18	B₂	3341	3109	2.47
19	B₂	1647	1532	3.21
20	B₂	1541	1434	14.78
21	B₂	1362	1267	1.47
22	B₂	1203	1119	1.78
23	B₂	1109	1032	17.84
24	B₂	891	829	1.45

Atom	y (Å)	z (Å)
N1	0.000	1.123
H2	0.000	2.125
C3	1.123	0.331
C4	-1.123	0.331
C5	0.715	-0.983
C6	-0.715	-0.983
H7	2.109	0.762
H8	-2.109	0.762
H9	1.359	-1.844
H10	-1.359	-1.844

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0013	1.3746	1.3746	2.2240	2.2240	2.1393	2.1393	3.2637	3.2637
H2	1.0013		2.1163	2.1163	3.1885	3.1885	2.5105	2.5105	4.1948	4.1948
C3	1.3746	2.1163		2.2467	1.3757	2.2595	1.0753	3.2605	2.1877	3.3005
C4	1.3746	2.1163	2.2467		2.2595	1.3757	3.2605	1.0753	3.3005	2.1877
C5	2.2240	3.1885	1.3757	2.2595		1.4299	2.2329	3.3190	1.0755	2.2458
C6	2.2240	3.1885	2.2595	1.3757	1.4299		3.3190	2.2329	2.2458	1.0755
H7	2.1393	2.5105	1.0753	3.2605	2.2329	3.3190		4.2171	2.7115	4.3377
H8	2.1393	2.5105	3.2605	1.0753	3.3190	2.2329	4.2171		4.3377	2.7115
H9	3.2637	4.1948	2.1877	3.3005	1.0755	2.2458	2.7115	4.3377		2.7183
H10	3.2637	4.1948	3.3005	2.1877	2.2458	1.0755	4.3377	2.7115	2.7183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.924	N1	C3	H7	121.181
N1	C4	C6	107.924	N1	C4	H8	121.181
H2	N1	C3	125.194	H2	N1	C4	125.194
C3	N1	C4	109.613	C3	C5	C6	107.270
C3	C5	H9	125.935	C4	C6	C5	107.270
C4	C6	H10	125.935	C5	C3	H7	130.895
C5	C6	H10	126.796	C6	C4	H8	130.895
C6	C5	H9	126.796

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)