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	hartrees
Energy at 0K	-206.520048
Energy at 298.15K	-206.525878
HF Energy	-206.220351
Nuclear repulsion energy	158.062561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3874	3444	60.00
2	A₁	3589	3190	1.43
3	A₁	3561	3165	8.57
4	A₁	1644	1462	12.73
5	A₁	1524	1354	16.24
6	A₁	1230	1094	3.66
7	A₁	1170	1040	6.19
8	A₁	1110	987	4.49
9	A₁	932	829	0.01
10	A₂	953	847	0.00
11	A₂	767	682	0.00
12	A₂	660	587	0.00
13	B₁	918	816	1.04
14	B₁	787	700	34.12
15	B₁	665	591	9.02
16	B₁	400	355	65.52
17	B₂	3577	3179	11.31
18	B₂	3553	3158	1.46
19	B₂	1692	1504	1.88
20	B₂	1618	1438	14.40
21	B₂	1402	1246	2.16
22	B₂	1220	1084	0.73
23	B₂	1141	1014	5.89
24	B₂	921	818	0.37

Atom	y (Å)	z (Å)
N1	0.000	1.145
H2	0.000	2.186
C3	1.148	0.330
C4	-1.148	0.330
C5	0.722	-0.996
C6	-0.722	-0.996
H7	2.150	0.775
H8	-2.150	0.775
H9	1.374	-1.875
H10	-1.374	-1.875

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0412	1.4080	1.4080	2.2594	2.2594	2.1814	2.1814	3.3178	3.3178
H2	1.0412		2.1824	2.1824	3.2631	3.2631	2.5715	2.5715	4.2873	4.2873
C3	1.4080	2.1824		2.2969	1.3932	2.2931	1.0958	3.3282	2.2168	3.3507
C4	1.4080	2.1824	2.2969		2.2931	1.3932	3.3282	1.0958	3.3507	2.2168
C5	2.2594	3.2631	1.3932	2.2931		1.4442	2.2751	3.3743	1.0945	2.2732
C6	2.2594	3.2631	2.2931	1.3932	1.4442		3.3743	2.2751	2.2732	1.0945
H7	2.1814	2.5715	1.0958	3.3282	2.2751	3.3743		4.2998	2.7613	4.4095
H8	2.1814	2.5715	3.3282	1.0958	3.3743	2.2751	4.2998		4.4095	2.7613
H9	3.3178	4.2873	2.2168	3.3507	1.0945	2.2732	2.7613	4.4095		2.7487
H10	3.3178	4.2873	3.3507	2.2168	2.2732	1.0945	4.4095	2.7613	2.7487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.528	N1	C3	H7	120.695
N1	C4	C6	107.528	N1	C4	H8	120.695
H2	N1	C3	125.348	H2	N1	C4	125.348
C3	N1	C4	109.305	C3	C5	C6	107.820
C3	C5	H9	125.599	C4	C6	C5	107.820
C4	C6	H10	125.599	C5	C3	H7	131.777
C5	C6	H10	126.581	C6	C4	H8	131.777
C6	C5	H9	126.581

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)