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	hartrees
Energy at 0K	-209.562186
Energy at 298.15K
HF Energy	-208.827055
Nuclear repulsion energy	160.110826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3757	3532	78.92
2	A₁	3334	3135	0.17
3	A₁	3311	3113	3.03
4	A₁	1546	1454	11.54
5	A₁	1457	1370	4.02
6	A₁	1197	1125	4.37
7	A₁	1107	1041	11.17
8	A₁	1045	982	23.87
9	A₁	900	847	0.14
10	A₂	862	810	0.00
11	A₂	705	663	0.00
12	A₂	616	579	0.00
13	B₁	838	788	1.54
14	B₁	742	698	131.37
15	B₁	644	606	0.82
16	B₁	462	434	70.77
17	B₂	3326	3128	3.96
18	B₂	3299	3102	2.26
19	B₂	1612	1516	2.02
20	B₂	1524	1433	9.78
21	B₂	1323	1244	1.69
22	B₂	1176	1106	1.88
23	B₂	1078	1013	20.18
24	B₂	879	826	1.21

Atom	y (Å)	z (Å)
N1	0.000	1.125
H2	0.000	2.133
C3	1.127	0.336
C4	-1.127	0.336
C5	0.717	-0.989
C6	-0.717	-0.989
H7	2.121	0.774
H8	-2.121	0.774
H9	1.373	-1.857
H10	-1.373	-1.857

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0079	1.3759	1.3759	2.2326	2.2326	2.1501	2.1501	3.2832	3.2832
H2	1.0079		2.1214	2.1214	3.2035	3.2035	2.5191	2.5191	4.2198	4.2198
C3	1.3759	2.1214		2.2535	1.3866	2.2703	1.0870	3.2775	2.2066	3.3251
C4	1.3759	2.1214	2.2535		2.2703	1.3866	3.2775	1.0870	3.3251	2.2066
C5	2.2326	3.2035	1.3866	2.2703		1.4341	2.2543	3.3416	1.0879	2.2629
C6	2.2326	3.2035	2.2703	1.3866	1.4341		3.3416	2.2543	2.2629	1.0879
H7	2.1501	2.5191	1.0870	3.2775	2.2543	3.3416		4.2426	2.7361	4.3742
H8	2.1501	2.5191	3.2775	1.0870	3.3416	2.2543	4.2426		4.3742	2.7361
H9	3.2832	4.2198	2.2066	3.3251	1.0879	2.2629	2.7361	4.3742		2.7455
H10	3.2832	4.2198	3.3251	2.2066	2.2629	1.0879	4.3742	2.7361	2.7455

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.836	N1	C3	H7	121.169
N1	C4	C6	107.836	N1	C4	H8	121.169
H2	N1	C3	125.022	H2	N1	C4	125.022
C3	N1	C4	109.956	C3	C5	C6	107.186
C3	C5	H9	125.749	C4	C6	C5	107.186
C4	C6	H10	125.749	C5	C3	H7	130.996
C5	C6	H10	127.064	C6	C4	H8	130.996
C6	C5	H9	127.064

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)