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	hartrees
Energy at 0K	-209.510389
Energy at 298.15K
HF Energy	-208.805949
Nuclear repulsion energy	160.627800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3696	3519	64.63
2	A₁	3294	3137	0.18
3	A₁	3272	3116	5.71
4	A₁	1548	1474	10.06
5	A₁	1468	1398	5.50
6	A₁	1195	1138	2.84
7	A₁	1121	1067	11.05
8	A₁	1061	1010	26.99
9	A₁	907	864	0.31
10	A₂	814	775	0.00
11	A₂	678	646	0.00
12	A₂	605	577	0.00
13	B₁	804	766	6.94
14	B₁	732	697	136.90
15	B₁	635	605	0.27
16	B₁	421	401	90.10
17	B₂	3289	3132	7.98
18	B₂	3261	3105	2.86
19	B₂	1627	1550	5.11
20	B₂	1510	1438	13.42
21	B₂	1339	1275	1.36
22	B₂	1193	1136	1.73
23	B₂	1099	1047	19.00
24	B₂	885	843	1.43

Atom	y (Å)	z (Å)
N1	0.000	1.123
H2	0.000	2.132
C3	1.126	0.331
C4	-1.126	0.331
C5	0.715	-0.983
C6	-0.715	-0.983
H7	2.117	0.767
H8	-2.117	0.767
H9	1.364	-1.850
H10	-1.364	-1.850

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0095	1.3768	1.3768	2.2233	2.2233	2.1470	2.1470	3.2711	3.2711
H2	1.0095		2.1246	2.1246	3.1958	3.1958	2.5195	2.5195	4.2097	4.2097
C3	1.3768	2.1246		2.2520	1.3761	2.2609	1.0829	3.2724	2.1938	3.3099
C4	1.3768	2.1246	2.2520		2.2609	1.3761	3.2724	1.0829	3.3099	2.1938
C5	2.2233	3.1958	1.3761	2.2609		1.4291	2.2420	3.3284	1.0838	2.2523
C6	2.2233	3.1958	2.2609	1.3761	1.4291		3.3284	2.2420	2.2523	1.0838
H7	2.1470	2.5195	1.0829	3.2724	2.2420	3.3284		4.2344	2.7232	4.3550
H8	2.1470	2.5195	3.2724	1.0829	3.3284	2.2420	4.2344		4.3550	2.7232
H9	3.2711	4.2097	2.1938	3.3099	1.0838	2.2523	2.7232	4.3550		2.7277
H10	3.2711	4.2097	3.3099	2.1938	2.2523	1.0838	4.3550	2.7232	2.7277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.735	N1	C3	H7	121.126
N1	C4	C6	107.735	N1	C4	H8	121.126
H2	N1	C3	125.131	H2	N1	C4	125.131
C3	N1	C4	109.737	C3	C5	C6	107.397
C3	C5	H9	125.799	C4	C6	C5	107.397
C4	C6	H10	125.799	C5	C3	H7	131.139
C5	C6	H10	126.805	C6	C4	H8	131.139
C6	C5	H9	126.805

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)