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	hartrees
Energy at 0K	-209.648860
Energy at 298.15K	-209.654784
HF Energy	-208.846538
Nuclear repulsion energy	160.767195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3711	3514	65.98
2	A₁	3301	3126	0.22
3	A₁	3281	3107	3.50
4	A₁	1524	1443	5.55
5	A₁	1447	1370	4.74
6	A₁	1187	1124	2.38
7	A₁	1118	1059	6.47
8	A₁	1055	999	27.77
9	A₁	899	851	0.17
10	A₂	773	732	0.00
11	A₂	629	596	0.00
12	A₂	583	552	0.00
13	B₁	761	721	21.53
14	B₁	701	664	174.00
15	B₁	638	604	0.78
16	B₁	451	427	70.74
17	B₂	3294	3120	4.55
18	B₂	3270	3097	2.01
19	B₂	1577	1493	4.88
20	B₂	1512	1432	11.84
21	B₂	1319	1249	1.40
22	B₂	1189	1126	3.07
23	B₂	1076	1019	27.48
24	B₂	875	829	1.10

Atom	y (Å)	z (Å)
N1	0.000	1.120
H2	0.000	2.126
C3	1.124	0.336
C4	-1.124	0.336
C5	0.710	-0.986
C6	-0.710	-0.986
H7	2.113	0.771
H8	-2.113	0.771
H9	1.360	-1.850
H10	-1.360	-1.850

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0062	1.3706	1.3706	2.2226	2.2226	2.1417	2.1417	3.2665	3.2665
H2	1.0062		2.1140	2.1140	3.1923	3.1923	2.5103	2.5103	4.2023	4.2023
C3	1.3706	2.1140		2.2484	1.3855	2.2609	1.0804	3.2664	2.1984	3.3092
C4	1.3706	2.1140	2.2484		2.2609	1.3855	3.2664	1.0804	3.3092	2.1984
C5	2.2226	3.1923	1.3855	2.2609		1.4197	2.2488	3.3252	1.0812	2.2432
C6	2.2226	3.1923	2.2609	1.3855	1.4197		3.3252	2.2488	2.2432	1.0812
H7	2.1417	2.5103	1.0804	3.2664	2.2488	3.3252		4.2261	2.7268	4.3513
H8	2.1417	2.5103	3.2664	1.0804	3.3252	2.2488	4.2261		4.3513	2.7268
H9	3.2665	4.2023	2.1984	3.3092	1.0812	2.2432	2.7268	4.3513		2.7209
H10	3.2665	4.2023	3.3092	2.1984	2.2432	1.0812	4.3513	2.7268	2.7209

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.494	N1	C3	H7	121.356
N1	C4	C6	107.494	N1	C4	H8	121.356
H2	N1	C3	124.893	H2	N1	C4	124.893
C3	N1	C4	110.213	C3	C5	C6	107.400
C3	C5	H9	125.606	C4	C6	C5	107.400
C4	C6	H10	125.606	C5	C3	H7	131.151
C5	C6	H10	126.995	C6	C4	H8	131.151
C6	C5	H9	126.995

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)