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	hartrees
Energy at 0K	-209.563020
Energy at 298.15K
HF Energy	-208.835484
Nuclear repulsion energy	159.607438

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3673	3522	75.84
2	A₁	3305	3170	0.03
3	A₁	3283	3149	1.62
4	A₁	1496	1434	11.56
5	A₁	1431	1373	1.57
6	A₁	1168	1120	2.33
7	A₁	1096	1051	4.06
8	A₁	1037	994	28.28
9	A₁	882	846	0.22
10	A₂	817	784	0.00
11	A₂	664	637	0.00
12	A₂	609	584	0.00
13	B₁	792	760	2.89
14	B₁	719	689	176.93
15	B₁	637	611	1.60
16	B₁	515	494	59.05
17	B₂	3299	3164	1.37
18	B₂	3272	3138	1.84
19	B₂	1545	1482	0.34
20	B₂	1481	1420	10.38
21	B₂	1292	1239	1.56
22	B₂	1158	1110	2.80
23	B₂	1056	1013	23.75
24	B₂	859	824	1.16

Atom	y (Å)	z (Å)
N1	0.000	1.126
H2	0.000	2.138
C3	1.133	0.339
C4	-1.133	0.339
C5	0.715	-0.994
C6	-0.715	-0.994
H7	2.127	0.780
H8	-2.127	0.780
H9	1.371	-1.863
H10	-1.371	-1.863

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0122	1.3795	1.3795	2.2376	2.2376	2.1555	2.1555	3.2887	3.2887
H2	1.0122		2.1262	2.1262	3.2130	3.2130	2.5241	2.5241	4.2298	4.2298
C3	1.3795	2.1262		2.2660	1.3975	2.2786	1.0878	3.2902	2.2151	3.3349
C4	1.3795	2.1262	2.2660		2.2786	1.3975	3.2902	1.0878	3.3349	2.2151
C5	2.2376	3.2130	1.3975	2.2786		1.4294	2.2680	3.3505	1.0890	2.2597
C6	2.2376	3.2130	2.2786	1.3975	1.4294		3.3505	2.2680	2.2597	1.0890
H7	2.1555	2.5241	1.0878	3.2902	2.2680	3.3505		4.2550	2.7492	4.3849
H8	2.1555	2.5241	3.2902	1.0878	3.3505	2.2680	4.2550		4.3849	2.7492
H9	3.2887	4.2298	2.2151	3.3349	1.0890	2.2597	2.7492	4.3849		2.7424
H10	3.2887	4.2298	3.3349	2.2151	2.2597	1.0890	4.3849	2.7492	2.7424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.366	N1	C3	H7	121.310
N1	C4	C6	107.366	N1	C4	H8	121.310
H2	N1	C3	124.783	H2	N1	C4	124.783
C3	N1	C4	110.434	C3	C5	C6	107.417
C3	C5	H9	125.508	C4	C6	C5	107.417
C4	C6	H10	125.508	C5	C3	H7	131.325
C5	C6	H10	127.074	C6	C4	H8	131.325
C6	C5	H9	127.074

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP2/aug-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: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)