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	hartrees
Energy at 0K	-209.959640
Energy at 298.15K
HF Energy	-209.724027
Nuclear repulsion energy	160.335930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3687	3533	68.17
2	A₁	3299	3161	0.13
3	A₁	3277	3140	3.54
4	A₁	1513	1450	8.20
5	A₁	1437	1377	2.93
6	A₁	1181	1132	2.95
7	A₁	1095	1049	7.45
8	A₁	1034	991	26.14
9	A₁	892	855	0.06
10	A₂	868	831	0.00
11	A₂	684	655	0.00
12	A₂	625	599	0.00
13	B₁	824	789	2.42
14	B₁	730	700	122.20
15	B₁	643	616	1.03
16	B₁	466	447	64.78
17	B₂	3292	3155	3.54
18	B₂	3266	3129	2.56
19	B₂	1579	1513	2.75
20	B₂	1480	1418	5.45
21	B₂	1302	1248	1.77
22	B₂	1159	1110	2.31
23	B₂	1063	1019	24.05
24	B₂	872	835	1.05

Atom	y (Å)	z (Å)
N1	0.000	1.123
H2	0.000	2.133
C3	1.127	0.335
C4	-1.127	0.335
C5	0.714	-0.987
C6	-0.714	-0.987
H7	2.120	0.773
H8	-2.120	0.773
H9	1.367	-1.855
H10	-1.367	-1.855

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0097	1.3753	1.3753	2.2279	2.2279	2.1487	2.1487	3.2776	3.2776
H2	1.0097		2.1221	2.1221	3.2008	3.2008	2.5185	2.5185	4.2162	4.2162
C3	1.3753	2.1221		2.2534	1.3848	2.2659	1.0858	3.2761	2.2032	3.3191
C4	1.3753	2.1221	2.2534		2.2659	1.3848	3.2761	1.0858	3.3191	2.2032
C5	2.2279	3.2008	1.3848	2.2659		1.4275	2.2531	3.3360	1.0867	2.2550
C6	2.2279	3.2008	2.2659	1.3848	1.4275		3.3360	2.2531	2.2550	1.0867
H7	2.1487	2.5185	1.0858	3.2761	2.2531	3.3360		4.2399	2.7342	4.3670
H8	2.1487	2.5185	3.2761	1.0858	3.3360	2.2531	4.2399		4.3670	2.7342
H9	3.2776	4.2162	2.2032	3.3191	1.0867	2.2550	2.7342	4.3670		2.7348
H10	3.2776	4.2162	3.3191	2.2032	2.2550	1.0867	4.3670	2.7342	2.7348

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.645	N1	C3	H7	121.181
N1	C4	C6	107.645	N1	C4	H8	121.181
H2	N1	C3	124.993	H2	N1	C4	124.993
C3	N1	C4	110.014	C3	C5	C6	107.348
C3	C5	H9	125.677	C4	C6	C5	107.348
C4	C6	H10	125.677	C5	C3	H7	131.174
C5	C6	H10	126.975	C6	C4	H8	131.174
C6	C5	H9	126.975

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: B2PLYP=FULLultrafine/cc-pVDZ

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: B2PLYP=FULLultrafine/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)