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	hartrees
Energy at 0K	-209.748920
Energy at 298.15K
HF Energy	-208.884325
Nuclear repulsion energy	161.304670

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3737	3517	76.15
2	A₁	3302	3108	0.19
3	A₁	3281	3088	2.45
4	A₁	1535	1445	10.13
5	A₁	1446	1361	4.25
6	A₁	1188	1118	3.01
7	A₁	1106	1041	11.65
8	A₁	1046	985	26.49
9	A₁	904	851	0.27
10	A₂	886	834	0.00
11	A₂	720	677	0.00
12	A₂	629	592	0.00
13	B₁	859	809	0.52
14	B₁	753	709	147.01
15	B₁	645	607	0.04
16	B₁	458	431	73.81
17	B₂	3295	3101	3.36
18	B₂	3270	3077	2.33
19	B₂	1606	1512	2.85
20	B₂	1490	1402	8.99
21	B₂	1331	1253	0.96
22	B₂	1175	1105	1.50
23	B₂	1084	1020	19.04
24	B₂	882	830	1.58

Atom	y (Å)	z (Å)
N1	0.000	1.119
H2	0.000	2.119
C3	1.120	0.330
C4	-1.120	0.330
C5	0.713	-0.980
C6	-0.713	-0.980
H7	2.105	0.762
H8	-2.105	0.762
H9	1.360	-1.839
H10	-1.360	-1.839

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0003	1.3700	1.3700	2.2167	2.2167	2.1351	2.1351	3.2558	3.2558
H2	1.0003		2.1106	2.1106	3.1801	3.1801	2.5046	2.5046	4.1855	4.1855
C3	1.3700	2.1106		2.2409	1.3724	2.2537	1.0750	3.2542	2.1828	3.2957
C4	1.3700	2.1106	2.2409		2.2537	1.3724	3.2542	1.0750	3.2957	2.1828
C5	2.2167	3.1801	1.3724	2.2537		1.4260	2.2299	3.3131	1.0757	2.2443
C6	2.2167	3.1801	2.2537	1.3724	1.4260		3.3131	2.2299	2.2443	1.0757
H7	2.1351	2.5046	1.0750	3.2542	2.2299	3.3131		4.2101	2.7057	4.3330
H8	2.1351	2.5046	3.2542	1.0750	3.3131	2.2299	4.2101		4.3330	2.7057
H9	3.2558	4.1855	2.1828	3.2957	1.0757	2.2443	2.7057	4.3330		2.7207
H10	3.2558	4.1855	3.2957	2.1828	2.2443	1.0757	4.3330	2.7057	2.7207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.862	N1	C3	H7	121.199
N1	C4	C6	107.862	N1	C4	H8	121.199
H2	N1	C3	125.132	H2	N1	C4	125.132
C3	N1	C4	109.737	C3	C5	C6	107.270
C3	C5	H9	125.732	C4	C6	C5	107.270
C4	C6	H10	125.732	C5	C3	H7	130.939
C5	C6	H10	126.998	C6	C4	H8	130.939
C6	C5	H9	126.998

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: CCSD/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)