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	hartrees
Energy at 0K	-209.737238
Energy at 298.15K	-209.743299
HF Energy	-208.890786
Nuclear repulsion energy	161.172036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3702	3522	82.97
2	A₁	3312	3151	0.02
3	A₁	3292	3132	1.07
4	A₁	1510	1437	7.74
5	A₁	1435	1365	3.27
6	A₁	1178	1121	2.22
7	A₁	1108	1055	5.14
8	A₁	1046	995	27.02
9	A₁	891	848	0.18
10	A₂	850	809	0.00
11	A₂	672	640	0.00
12	A₂	615	585	0.00
13	B₁	817	777	6.13
14	B₁	730	694	158.03
15	B₁	648	617	1.25
16	B₁	496	472	63.09
17	B₂	3305	3145	0.95
18	B₂	3281	3122	1.56
19	B₂	1561	1486	1.33
20	B₂	1485	1413	10.53
21	B₂	1313	1249	1.20
22	B₂	1170	1113	2.47
23	B₂	1068	1016	24.48
24	B₂	868	826	1.15

Atom	y (Å)	z (Å)
N1	0.000	1.118
H2	0.000	2.121
C3	1.122	0.334
C4	-1.122	0.334
C5	0.708	-0.984
C6	-0.708	-0.984
H7	2.105	0.770
H8	-2.105	0.770
H9	1.355	-1.844
H10	-1.355	-1.844

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0036	1.3687	1.3687	2.2177	2.2177	2.1334	2.1334	3.2565	3.2565
H2	1.0036		2.1105	2.1105	3.1850	3.1850	2.5016	2.5016	4.1900	4.1900
C3	1.3687	2.1105		2.2441	1.3812	2.2553	1.0750	3.2561	2.1899	3.2979
C4	1.3687	2.1105	2.2441		2.2553	1.3812	3.2561	1.0750	3.2979	2.1899
C5	2.2177	3.1850	1.3812	2.2553		1.4166	2.2415	3.3148	1.0757	2.2351
C6	2.2177	3.1850	2.2553	1.3812	1.4166		3.3148	2.2415	2.2351	1.0757
H7	2.1334	2.5016	1.0750	3.2561	2.2415	3.3148		4.2096	2.7186	4.3356
H8	2.1334	2.5016	3.2561	1.0750	3.3148	2.2415	4.2096		4.3356	2.7186
H9	3.2565	4.1900	2.1899	3.2979	1.0757	2.2351	2.7186	4.3356		2.7096
H10	3.2565	4.1900	3.2979	2.1899	2.2351	1.0757	4.3356	2.7186	2.7096

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.506	N1	C3	H7	121.157
N1	C4	C6	107.506	N1	C4	H8	121.157
H2	N1	C3	124.939	H2	N1	C4	124.939
C3	N1	C4	110.123	C3	C5	C6	107.432
C3	C5	H9	125.624	C4	C6	C5	107.432
C4	C6	H10	125.624	C5	C3	H7	131.337
C5	C6	H10	126.944	C6	C4	H8	131.337
C6	C5	H9	126.944

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP2/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: MP2/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)