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	hartrees
Energy at 0K	-209.619303
Energy at 298.15K
HF Energy	-208.858571
Nuclear repulsion energy	160.608634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3731	3731	71.52
2	A₁	3293	3293	0.31
3	A₁	3270	3270	4.12
4	A₁	1532	1532	10.96
5	A₁	1442	1442	4.61
6	A₁	1185	1185	3.63
7	A₁	1105	1105	12.63
8	A₁	1044	1044	24.99
9	A₁	902	902	0.22
10	A₂	827	827	0.00
11	A₂	690	690	0.00
12	A₂	597	597	0.00
13	B₁	824	824	1.00
14	B₁	731	731	151.95
15	B₁	633	633	0.04
16	B₁	410	410	77.33
17	B₂	3286	3286	6.00
18	B₂	3259	3259	2.78
19	B₂	1603	1603	3.88
20	B₂	1498	1498	9.84
21	B₂	1323	1323	1.16
22	B₂	1176	1176	1.77
23	B₂	1081	1081	19.10
24	B₂	879	879	1.52

Atom	y (Å)	z (Å)
N1	0.000	1.123
H2	0.000	2.128
C3	1.125	0.332
C4	-1.125	0.332
C5	0.716	-0.984
C6	-0.716	-0.984
H7	2.114	0.768
H8	-2.114	0.768
H9	1.366	-1.849
H10	-1.366	-1.849

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0048	1.3751	1.3751	2.2255	2.2255	2.1439	2.1439	3.2704	3.2704
H2	1.0048		2.1188	2.1188	3.1933	3.1933	2.5138	2.5138	4.2045	4.2045
C3	1.3751	2.1188		2.2505	1.3789	2.2636	1.0806	3.2687	2.1945	3.3109
C4	1.3751	2.1188	2.2505		2.2636	1.3789	3.2687	1.0806	3.3109	2.1945
C5	2.2255	3.1933	1.3789	2.2636		1.4318	2.2418	3.3287	1.0814	2.2538
C6	2.2255	3.1933	2.2636	1.3789	1.4318		3.3287	2.2418	2.2538	1.0814
H7	2.1439	2.5138	1.0806	3.2687	2.2418	3.3287		4.2286	2.7218	4.3539
H8	2.1439	2.5138	3.2687	1.0806	3.3287	2.2418	4.2286		4.3539	2.7218
H9	3.2704	4.2045	2.1945	3.3109	1.0814	2.2538	2.7218	4.3539		2.7310
H10	3.2704	4.2045	3.3109	2.1945	2.2538	1.0814	4.3539	2.7218	2.7310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.814	N1	C3	H7	121.151
N1	C4	C6	107.814	N1	C4	H8	121.151
H2	N1	C3	125.085	H2	N1	C4	125.085
C3	N1	C4	109.830	C3	C5	C6	107.271
C3	C5	H9	125.806	C4	C6	C5	107.271
C4	C6	H10	125.806	C5	C3	H7	131.035
C5	C6	H10	126.923	C6	C4	H8	131.035
C6	C5	H9	126.923

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: CCSD/6-311G**

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: CCSD/6-311G**

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)