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	hartrees
Energy at 0K	-209.613686
Energy at 298.15K
HF Energy	-208.858750
Nuclear repulsion energy	160.748159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3741	3573	73.91
2	A₁	3299	3151	0.34
3	A₁	3276	3129	3.85
4	A₁	1538	1469	11.65
5	A₁	1447	1382	5.18
6	A₁	1192	1138	4.20
7	A₁	1109	1060	13.22
8	A₁	1049	1002	24.30
9	A₁	905	864	0.25
10	A₂	830	793	0.00
11	A₂	691	660	0.00
12	A₂	599	572	0.00
13	B₁	826	789	1.18
14	B₁	733	700	152.63
15	B₁	637	608	0.00
16	B₁	424	405	77.23
17	B₂	3292	3144	6.08
18	B₂	3265	3119	2.53
19	B₂	1609	1537	2.99
20	B₂	1514	1446	12.44
21	B₂	1328	1269	1.19
22	B₂	1182	1129	1.75
23	B₂	1083	1035	19.07
24	B₂	882	843	1.43

Atom	y (Å)	z (Å)
N1	0.000	1.121
H2	0.000	2.126
C3	1.124	0.333
C4	-1.124	0.333
C5	0.715	-0.984
C6	-0.715	-0.984
H7	2.113	0.768
H8	-2.113	0.768
H9	1.365	-1.848
H10	-1.365	-1.848

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0043	1.3731	1.3731	2.2234	2.2234	2.1422	2.1422	3.2679	3.2679
H2	1.0043		2.1162	2.1162	3.1908	3.1908	2.5116	2.5116	4.2015	4.2015
C3	1.3731	2.1162		2.2480	1.3787	2.2615	1.0804	3.2660	2.1939	3.3088
C4	1.3731	2.1162	2.2480		2.2615	1.3787	3.2660	1.0804	3.3088	2.1939
C5	2.2234	3.1908	1.3787	2.2615		1.4296	2.2413	3.3264	1.0811	2.2518
C6	2.2234	3.1908	2.2615	1.3787	1.4296		3.3264	2.2413	2.2518	1.0811
H7	2.1422	2.5116	1.0804	3.2660	2.2413	3.3264		4.2257	2.7208	4.3515
H8	2.1422	2.5116	3.2660	1.0804	3.3264	2.2413	4.2257		4.3515	2.7208
H9	3.2679	4.2015	2.1939	3.3088	1.0811	2.2518	2.7208	4.3515		2.7292
H10	3.2679	4.2015	3.3088	2.1939	2.2518	1.0811	4.3515	2.7208	2.7292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.795	N1	C3	H7	121.185
N1	C4	C6	107.795	N1	C4	H8	121.185
H2	N1	C3	125.059	H2	N1	C4	125.059
C3	N1	C4	109.882	C3	C5	C6	107.264
C3	C5	H9	125.791	C4	C6	C5	107.264
C4	C6	H10	125.791	C5	C3	H7	131.020
C5	C6	H10	126.945	C6	C4	H8	131.020
C6	C5	H9	126.945

All results from a given calculation for C₄H₅N (Pyrrole)

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

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)