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	hartrees
Energy at 0K	-209.754619
Energy at 298.15K
HF Energy	-208.891697
Nuclear repulsion energy	161.397953

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3775	3775	83.73
2	A₁	3331	3331	0.08
3	A₁	3309	3309	1.77
4	A₁	1541	1541	11.40
5	A₁	1448	1448	4.83
6	A₁	1193	1193	3.06
7	A₁	1111	1111	12.64
8	A₁	1051	1051	27.25
9	A₁	910	910	0.34
10	A₂	873	873	0.00
11	A₂	714	714	0.00
12	A₂	621	621	0.00
13	B₁	857	857	1.27
14	B₁	753	753	157.97
15	B₁	648	648	0.03
16	B₁	474	474	73.02
17	B₂	3323	3323	2.18
18	B₂	3298	3298	2.09
19	B₂	1611	1611	2.01
20	B₂	1501	1501	10.85
21	B₂	1338	1338	0.91
22	B₂	1182	1182	1.43
23	B₂	1087	1087	20.67
24	B₂	887	887	1.64

Atom	y (Å)	z (Å)
N1	0.000	1.118
H2	0.000	2.116
C3	1.120	0.331
C4	-1.120	0.331
C5	0.712	-0.980
C6	-0.712	-0.980
H7	2.102	0.762
H8	-2.102	0.762
H9	1.359	-1.838
H10	-1.359	-1.838

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		0.9981	1.3686	1.3686	2.2163	2.2163	2.1324	2.1324	3.2535	3.2535
H2	0.9981		2.1072	2.1072	3.1776	3.1776	2.5008	2.5008	4.1812	4.1812
C3	1.3686	2.1072		2.2392	1.3733	2.2530	1.0732	3.2508	2.1822	3.2935
C4	1.3686	2.1072	2.2392		2.2530	1.3733	3.2508	1.0732	3.2935	2.1822
C5	2.2163	3.1776	1.3733	2.2530		1.4246	2.2292	3.3106	1.0739	2.2416
C6	2.2163	3.1776	2.2530	1.3733	1.4246		3.3106	2.2292	2.2416	1.0739
H7	2.1324	2.5008	1.0732	3.2508	2.2292	3.3106		4.2049	2.7044	4.3291
H8	2.1324	2.5008	3.2508	1.0732	3.3106	2.2292	4.2049		4.3291	2.7044
H9	3.2535	4.1812	2.1822	3.2935	1.0739	2.2416	2.7044	4.3291		2.7176
H10	3.2535	4.1812	3.2935	2.1822	2.2416	1.0739	4.3291	2.7044	2.7176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.858	N1	C3	H7	121.206
N1	C4	C6	107.858	N1	C4	H8	121.206
H2	N1	C3	125.109	H2	N1	C4	125.109
C3	N1	C4	109.781	C3	C5	C6	107.252
C3	C5	H9	125.736	C4	C6	C5	107.252
C4	C6	H10	125.736	C5	C3	H7	130.936
C5	C6	H10	127.013	C6	C4	H8	130.936
C6	C5	H9	127.013

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP3/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: MP3/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)