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	hartrees
Energy at 0K	-209.504176
Energy at 298.15K	-209.510140
HF Energy	-208.805891
Nuclear repulsion energy	160.905015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3686	3473	73.31
2	A₁	3324	3132	0.06
3	A₁	3304	3113	3.17
4	A₁	1542	1453	6.84
5	A₁	1473	1388	5.78
6	A₁	1196	1127	2.16
7	A₁	1136	1070	5.00
8	A₁	1072	1010	25.80
9	A₁	904	852	0.19
10	A₂	796	750	0.00
11	A₂	639	602	0.00
12	A₂	592	558	0.00
13	B₁	777	733	28.49
14	B₁	711	670	125.55
15	B₁	641	604	6.55
16	B₁	470	443	72.75
17	B₂	3319	3127	3.67
18	B₂	3293	3103	1.93
19	B₂	1601	1509	3.54
20	B₂	1522	1434	15.17
21	B₂	1339	1261	1.77
22	B₂	1201	1131	2.86
23	B₂	1096	1032	23.48
24	B₂	881	830	1.08

Atom	y (Å)	z (Å)
N1	0.000	1.119
H2	0.000	2.130
C3	1.124	0.333
C4	-1.124	0.333
C5	0.708	-0.984
C6	-0.708	-0.984
H7	2.113	0.770
H8	-2.113	0.770
H9	1.357	-1.849
H10	-1.357	-1.849

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0107	1.3716	1.3716	2.2189	2.2189	2.1415	2.1415	3.2638	3.2638
H2	1.0107		2.1191	2.1191	3.1931	3.1931	2.5125	2.5125	4.2041	4.2041
C3	1.3716	2.1191		2.2488	1.3815	2.2570	1.0807	3.2666	2.1952	3.3049
C4	1.3716	2.1191	2.2488		2.2570	1.3815	3.2666	1.0807	3.3049	2.1952
C5	2.2189	3.1931	1.3815	2.2570		1.4166	2.2471	3.3220	1.0817	2.2393
C6	2.2189	3.1931	2.2570	1.3815	1.4166		3.3220	2.2471	2.2393	1.0817
H7	2.1415	2.5125	1.0807	3.2666	2.2471	3.3220		4.2258	2.7265	4.3477
H8	2.1415	2.5125	3.2666	1.0807	3.3220	2.2471	4.2258		4.3477	2.7265
H9	3.2638	4.2041	2.1952	3.3049	1.0817	2.2393	2.7265	4.3477		2.7139
H10	3.2638	4.2041	3.3049	2.1952	2.2393	1.0817	4.3477	2.7265	2.7139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.408	N1	C3	H7	121.226
N1	C4	C6	107.408	N1	C4	H8	121.226
H2	N1	C3	124.938	H2	N1	C4	124.938
C3	N1	C4	110.125	C3	C5	C6	107.529
C3	C5	H9	125.624	C4	C6	C5	107.529
C4	C6	H10	125.624	C5	C3	H7	131.365
C5	C6	H10	126.847	C6	C4	H8	131.365
C6	C5	H9	126.847

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP2=FULL/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)