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	hartrees
Energy at 0K	-209.574097
Energy at 298.15K
HF Energy	-208.846946
Nuclear repulsion energy	160.712336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3734	3567	59.66
2	A₁	3280	3133	0.39
3	A₁	3258	3112	5.09
4	A₁	1539	1470	9.18
5	A₁	1449	1384	5.59
6	A₁	1193	1140	3.75
7	A₁	1112	1062	13.88
8	A₁	1051	1004	27.41
9	A₁	908	867	0.34
10	A₂	798	762	0.00
11	A₂	672	642	0.00
12	A₂	602	575	0.00
13	B₁	797	761	3.87
14	B₁	724	692	175.61
15	B₁	637	608	0.28
16	B₁	423	404	85.56
17	B₂	3273	3126	7.93
18	B₂	3247	3101	2.56
19	B₂	1612	1540	4.97
20	B₂	1520	1452	13.54
21	B₂	1328	1268	1.08
22	B₂	1189	1136	1.86
23	B₂	1085	1037	22.29
24	B₂	886	846	1.42

Atom	y (Å)	z (Å)
N1	0.000	1.122
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	2.115	0.767
H8	-2.115	0.767
H9	1.366	-1.849
H10	-1.366	-1.849

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0042	1.3731	1.3731	2.2239	2.2239	2.1443	2.1443	3.2701	3.2701
H2	1.0042		2.1163	2.1163	3.1912	3.1912	2.5137	2.5137	4.2036	4.2036
C3	1.3731	2.1163		2.2474	1.3790	2.2614	1.0821	3.2675	2.1956	3.3105
C4	1.3731	2.1163	2.2474		2.2614	1.3790	3.2675	1.0821	3.3105	2.1956
C5	2.2239	3.1912	1.3790	2.2614		1.4294	2.2422	3.3276	1.0829	2.2531
C6	2.2239	3.1912	2.2614	1.3790	1.4294		3.3276	2.2422	2.2531	1.0829
H7	2.1443	2.5137	1.0821	3.2675	2.2422	3.3276		4.2295	2.7218	4.3544
H8	2.1443	2.5137	3.2675	1.0821	3.3276	2.2422	4.2295		4.3544	2.7218
H9	3.2701	4.2036	2.1956	3.3105	1.0829	2.2531	2.7218	4.3544		2.7313
H10	3.2701	4.2036	3.3105	2.1956	2.2531	1.0829	4.3544	2.7218	2.7313

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.820	N1	C3	H7	121.255
N1	C4	C6	107.820	N1	C4	H8	121.255
H2	N1	C3	125.076	H2	N1	C4	125.076
C3	N1	C4	109.849	C3	C5	C6	107.255
C3	C5	H9	125.792	C4	C6	C5	107.255
C4	C6	H10	125.792	C5	C3	H7	130.925
C5	C6	H10	126.952	C6	C4	H8	130.925
C6	C5	H9	126.952

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)