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	hartrees
Energy at 0K	-209.569464
Energy at 298.15K
HF Energy	-208.818844
Nuclear repulsion energy	161.220384

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3818	3818	71.77
2	A₁	3376	3376	0.37
3	A₁	3354	3354	4.77
4	A₁	1574	1574	12.48
5	A₁	1487	1487	6.26
6	A₁	1210	1210	3.21
7	A₁	1133	1133	11.43
8	A₁	1073	1073	24.47
9	A₁	916	916	0.31
10	A₂	836	836	0.00
11	A₂	692	692	0.00
12	A₂	605	605	0.00
13	B₁	826	826	5.48
14	B₁	742	742	127.84
15	B₁	643	643	1.92
16	B₁	461	461	83.59
17	B₂	3369	3369	7.31
18	B₂	3343	3343	2.36
19	B₂	1650	1650	3.22
20	B₂	1543	1543	14.70
21	B₂	1365	1365	1.50
22	B₂	1205	1205	1.83
23	B₂	1110	1110	18.00
24	B₂	893	893	1.45

Atom	y (Å)	z (Å)
N1	0.000	1.120
H2	0.000	2.120
C3	1.122	0.331
C4	-1.122	0.331
C5	0.712	-0.981
C6	-0.712	-0.981
H7	2.105	0.762
H8	-2.105	0.762
H9	1.357	-1.840
H10	-1.357	-1.840

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0001	1.3721	1.3721	2.2179	2.2179	2.1355	2.1355	3.2560	3.2560
H2	1.0001		2.1122	2.1122	3.1813	3.1813	2.5052	2.5052	4.1860	4.1860
C3	1.3721	2.1122		2.2448	1.3739	2.2549	1.0736	3.2565	2.1833	3.2951
C4	1.3721	2.1122	2.2448		2.2549	1.3739	3.2565	1.0736	3.2951	2.1833
C5	2.2179	3.1813	1.3739	2.2549		1.4241	2.2314	3.3130	1.0743	2.2401
C6	2.2179	3.1813	2.2549	1.3739	1.4241		3.3130	2.2314	2.2401	1.0743
H7	2.1355	2.5052	1.0736	3.2565	2.2314	3.3130		4.2107	2.7080	4.3311
H8	2.1355	2.5052	3.2565	1.0736	3.3130	2.2314	4.2107		4.3311	2.7080
H9	3.2560	4.1860	2.1833	3.2951	1.0743	2.2401	2.7080	4.3311		2.7133
H10	3.2560	4.1860	3.2951	2.1833	2.2401	1.0743	4.3311	2.7080	2.7133

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.738	N1	C3	H7	121.175
N1	C4	C6	107.738	N1	C4	H8	121.175
H2	N1	C3	125.114	H2	N1	C4	125.114
C3	N1	C4	109.772	C3	C5	C6	107.377
C3	C5	H9	125.752	C4	C6	C5	107.377
C4	C6	H10	125.752	C5	C3	H7	131.088
C5	C6	H10	126.872	C6	C4	H8	131.088
C6	C5	H9	126.872

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP3=FULL/6-31G**

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: MP3=FULL/6-31G**

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)