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	hartrees
Energy at 0K	-209.621128
Energy at 298.15K
HF Energy	-208.826591
Nuclear repulsion energy	160.319974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3735	3735
2	A₁	3322	3322
3	A₁	3300	3300
4	A₁	1526	1526
5	A₁	1449	1449
6	A₁	1174	1174
7	A₁	1109	1109
8	A₁	1048	1048
9	A₁	895	895
10	A₂	783	783
11	A₂	654	654
12	A₂	567	567
13	B₁	780	780
14	B₁	707	707
15	B₁	610	610
16	B₁	390	390
17	B₂	3316	3316
18	B₂	3289	3289
19	B₂	1595	1595
20	B₂	1490	1490
21	B₂	1333	1333
22	B₂	1180	1180
23	B₂	1083	1083
24	B₂	874	874

Atom	y (Å)	z (Å)
N1	0.000	1.126
H2	0.000	2.132
C3	1.129	0.333
C4	-1.129	0.333
C5	0.715	-0.987
C6	-0.715	-0.987
H7	2.115	0.768
H8	-2.115	0.768
H9	1.362	-1.850
H10	-1.362	-1.850

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0059	1.3798	1.3798	2.2308	2.2308	2.1450	2.1450	3.2728	3.2728
H2	1.0059		2.1239	2.1239	3.1999	3.1999	2.5164	2.5164	4.2083	4.2083
C3	1.3798	2.1239		2.2583	1.3834	2.2681	1.0776	3.2731	2.1952	3.3125
C4	1.3798	2.1239	2.2583		2.2681	1.3834	3.2731	1.0776	3.3125	2.1952
C5	2.2308	3.1999	1.3834	2.2681		1.4305	2.2450	3.3303	1.0785	2.2497
C6	2.2308	3.1999	2.2681	1.3834	1.4305		3.3303	2.2450	2.2497	1.0785
H7	2.1450	2.5164	1.0776	3.2731	2.2450	3.3303		4.2299	2.7240	4.3527
H8	2.1450	2.5164	3.2731	1.0776	3.3303	2.2450	4.2299		4.3527	2.7240
H9	3.2728	4.2083	2.1952	3.3125	1.0785	2.2497	2.7240	4.3527		2.7249
H10	3.2728	4.2083	3.3125	2.1952	2.2497	1.0785	4.3527	2.7240	2.7249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.671	N1	C3	H7	121.102
N1	C4	C6	107.671	N1	C4	H8	121.102
H2	N1	C3	125.079	H2	N1	C4	125.079
C3	N1	C4	109.841	C3	C5	C6	107.408
C3	C5	H9	125.717	C4	C6	C5	107.408
C4	C6	H10	125.717	C5	C3	H7	131.227
C5	C6	H10	126.875	C6	C4	H8	131.227
C6	C5	H9	126.875

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/6-31+G**

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)