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	hartrees
Energy at 0K	-209.436476
Energy at 298.15K
HF Energy	-208.828555
Nuclear repulsion energy	161.032547

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3823	3524	88.00
2	A₁	3388	3123	0.17
3	A₁	3364	3101	3.09
4	A₁	1584	1460	12.46
5	A₁	1497	1380	4.03
6	A₁	1227	1131	4.46
7	A₁	1129	1041	13.76
8	A₁	1069	986	25.85
9	A₁	923	851	0.26
10	A₂	920	848	0.00
11	A₂	751	692	0.00
12	A₂	643	593	0.00
13	B₁	893	823	0.29
14	B₁	779	718	133.49
15	B₁	663	612	0.12
16	B₁	484	446	80.47
17	B₂	3380	3116	4.10
18	B₂	3352	3090	2.84
19	B₂	1661	1531	3.80
20	B₂	1550	1428	7.27
21	B₂	1357	1251	1.76
22	B₂	1201	1107	2.23
23	B₂	1108	1022	20.87
24	B₂	901	831	1.64

Atom	y (Å)	z (Å)
N1	0.000	1.119
H2	0.000	2.122
C3	1.120	0.332
C4	-1.120	0.332
C5	0.715	-0.982
C6	-0.715	-0.982
H7	2.111	0.767
H8	-2.111	0.767
H9	1.367	-1.846
H10	-1.367	-1.846

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0030	1.3688	1.3688	2.2192	2.2192	2.1402	2.1402	3.2654	3.2654
H2	1.0030		2.1113	2.1113	3.1852	3.1852	2.5083	2.5083	4.1972	4.1972
C3	1.3688	2.1113		2.2402	1.3754	2.2568	1.0824	3.2603	2.1925	3.3066
C4	1.3688	2.1113	2.2402		2.2568	1.3754	3.2603	1.0824	3.3066	2.1925
C5	2.2192	3.1852	1.3754	2.2568		1.4291	2.2385	3.3234	1.0831	2.2542
C6	2.2192	3.1852	2.2568	1.3754	1.4291		3.3234	2.2385	2.2542	1.0831
H7	2.1402	2.5083	1.0824	3.2603	2.2385	3.3234		4.2222	2.7174	4.3510
H8	2.1402	2.5083	3.2603	1.0824	3.3234	2.2385	4.2222		4.3510	2.7174
H9	3.2654	4.1972	2.1925	3.3066	1.0831	2.2542	2.7174	4.3510		2.7347
H10	3.2654	4.1972	3.3066	2.1925	2.2542	1.0831	4.3510	2.7174	2.7347

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.938	N1	C3	H7	121.207
N1	C4	C6	107.938	N1	C4	H8	121.207
H2	N1	C3	125.086	H2	N1	C4	125.086
C3	N1	C4	109.828	C3	C5	C6	107.147
C3	C5	H9	125.788	C4	C6	C5	107.147
C4	C6	H10	125.788	C5	C3	H7	130.855
C5	C6	H10	127.064	C6	C4	H8	130.855
C6	C5	H9	127.064

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: CISD/cc-pVDZ

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: CISD/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)