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	hartrees
Energy at 0K	-209.784198
Energy at 298.15K	-209.779268
HF Energy	-208.804712
Nuclear repulsion energy	162.099990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3934	3934	78.42
2	A₁	3436	3436	0.21
3	A₁	3411	3411	9.72
4	A₁	1643	1643	15.83
5	A₁	1542	1542	6.34
6	A₁	1260	1260	2.88
7	A₁	1157	1157	26.31
8	A₁	1105	1105	25.97
9	A₁	964	964	0.73
10	A₂	984	984	0.00
11	A₂	796	796	0.00
12	A₂	676	676	0.00
13	B₁	954	954	0.38
14	B₁	826	826	131.77
15	B₁	682	682	0.15
16	B₁	480	480	119.17
17	B₂	3430	3430	13.74
18	B₂	3398	3398	4.81
19	B₂	1741	1741	9.59
20	B₂	1598	1598	9.63
21	B₂	1424	1424	1.16
22	B₂	1248	1248	1.45
23	B₂	1160	1160	18.49
24	B₂	942	942	2.72

Atom	y (Å)	z (Å)
N1	0.000	1.114
H2	0.000	2.105
C3	1.113	0.327
C4	-1.113	0.327
C5	0.714	-0.973
C6	-0.714	-0.973
H7	2.095	0.758
H8	-2.095	0.758
H9	1.360	-1.831
H10	-1.360	-1.831

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		0.9910	1.3635	1.3635	2.2063	2.2063	2.1254	2.1254	3.2444	3.2444
H2	0.9910		2.0982	2.0982	3.1602	3.1602	2.4909	2.4909	4.1649	4.1649
C3	1.3635	2.0982		2.2262	1.3596	2.2427	1.0730	3.2374	2.1721	3.2824
C4	1.3635	2.0982	2.2262		2.2427	1.3596	3.2374	1.0730	3.2824	2.1721
C5	2.2063	3.1602	1.3596	2.2427		1.4289	2.2148	3.3006	1.0739	2.2451
C6	2.2063	3.1602	2.2427	1.3596	1.4289		3.3006	2.2148	2.2451	1.0739
H7	2.1254	2.4909	1.0730	3.2374	2.2148	3.3006		4.1908	2.6921	4.3183
H8	2.1254	2.4909	3.2374	1.0730	3.3006	2.2148	4.1908		4.3183	2.6921
H9	3.2444	4.1649	2.1721	3.2824	1.0739	2.2451	2.6921	4.3183		2.7203
H10	3.2444	4.1649	3.2824	2.1721	2.2451	1.0739	4.3183	2.6921	2.7203

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	108.230	N1	C3	H7	120.993
N1	C4	C6	108.230	N1	C4	H8	120.993
H2	N1	C3	125.280	H2	N1	C4	125.280
C3	N1	C4	109.439	C3	C5	C6	107.050
C3	C5	H9	125.989	C4	C6	C5	107.050
C4	C6	H10	125.989	C5	C3	H7	130.776
C5	C6	H10	126.961	C6	C4	H8	130.776
C6	C5	H9	126.961

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)