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	hartrees
Energy at 0K	-209.562443
Energy at 298.15K	-209.568370
HF Energy	-208.826953
Nuclear repulsion energy	160.799320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3735	3508	80.94
2	A₁	3348	3145	0.04
3	A₁	3328	3125	2.44
4	A₁	1532	1439	11.94
5	A₁	1467	1378	3.45
6	A₁	1186	1114	2.01
7	A₁	1127	1058	5.50
8	A₁	1065	1000	31.54
9	A₁	899	844	0.45
10	A₂	791	743	0.00
11	A₂	645	606	0.00
12	A₂	566	532	0.00
13	B₁	779	732	19.09
14	B₁	709	666	193.58
15	B₁	622	584	7.57
16	B₁	440	413	62.77
17	B₂	3342	3139	2.32
18	B₂	3317	3115	2.22
19	B₂	1589	1493	1.07
20	B₂	1513	1421	14.10
21	B₂	1339	1258	1.51
22	B₂	1194	1121	2.81
23	B₂	1088	1022	27.35
24	B₂	877	824	1.61

Atom	y (Å)	z (Å)
N1	0.000	1.121
H2	0.000	2.127
C3	1.126	0.335
C4	-1.126	0.335
C5	0.709	-0.986
C6	-0.709	-0.986
H7	2.110	0.769
H8	-2.110	0.769
H9	1.358	-1.846
H10	-1.358	-1.846

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0066	1.3728	1.3728	2.2228	2.2228	2.1394	2.1394	3.2627	3.2627
H2	1.0066		2.1167	2.1167	3.1929	3.1929	2.5096	2.5096	4.1990	4.1990
C3	1.3728	2.1167		2.2511	1.3846	2.2607	1.0764	3.2650	2.1931	3.3051
C4	1.3728	2.1167	2.2511		2.2607	1.3846	3.2650	1.0764	3.3051	2.1931
C5	2.2228	3.1929	1.3846	2.2607		1.4187	2.2457	3.3213	1.0773	2.2391
C6	2.2228	3.1929	2.2607	1.3846	1.4187		3.3213	2.2457	2.2391	1.0773
H7	2.1394	2.5096	1.0764	3.2650	2.2457	3.3213		4.2207	2.7213	4.3438
H8	2.1394	2.5096	3.2650	1.0764	3.3213	2.2457	4.2207		4.3438	2.7213
H9	3.2627	4.1990	2.1931	3.3051	1.0773	2.2391	2.7213	4.3438		2.7159
H10	3.2627	4.1990	3.3051	2.1931	2.2391	1.0773	4.3438	2.7213	2.7159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.432	N1	C3	H7	121.263
N1	C4	C6	107.432	N1	C4	H8	121.263
H2	N1	C3	124.927	H2	N1	C4	124.927
C3	N1	C4	110.145	C3	C5	C6	107.495
C3	C5	H9	125.487	C4	C6	C5	107.495
C4	C6	H10	125.487	C5	C3	H7	131.305
C5	C6	H10	127.018	C6	C4	H8	131.305
C6	C5	H9	127.018

All results from a given calculation for C₄H₅N (Pyrrole)

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

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/6-31+G**

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)