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	hartrees
Energy at 0K	-34.890850
Energy at 298.15K
HF Energy	-34.433910
Nuclear repulsion energy	81.702832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3637	3550	48.75
2	A₁	3227	3150	0.69
3	A₁	3200	3123	11.22
4	A₁	1462	1427	9.68
5	A₁	1389	1356	6.01
6	A₁	1126	1099	0.00
7	A₁	1090	1064	5.36
8	A₁	1022	997	40.67
9	A₁	892	870	0.57
10	A₂	648	632	0.00
11	A₂	532	519	0.00
12	A₂	221i	216i	0.00
13	B₁	684	668	116.72
14	B₁	627	612	141.96
15	B₁	579	565	14.26
16	B₁	462	451	42.64
17	B₂	3217	3140	14.51
18	B₂	3188	3111	3.07
19	B₂	1534	1497	7.36
20	B₂	1437	1403	15.78
21	B₂	1306	1274	0.01
22	B₂	1181	1153	0.63
23	B₂	1058	1032	25.82
24	B₂	876	855	1.20

Atom	y (Å)	z (Å)
N1	0.000	1.148
H2	0.000	2.163
C3	1.157	0.341
C4	-1.157	0.341
C5	0.728	-1.008
C6	-0.728	-1.008
H7	2.152	0.778
H8	-2.152	0.778
H9	1.379	-1.880
H10	-1.379	-1.880

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0142	1.4103	1.4103	2.2758	2.2758	2.1837	2.1837	3.3275	3.3275
H2	1.0142		2.1575	2.1575	3.2530	3.2530	2.5589	2.5589	4.2712	4.2712
C3	1.4103	2.1575		2.3131	1.4157	2.3176	1.0872	3.3373	2.2324	3.3708
C4	1.4103	2.1575	2.3131		2.3176	1.4157	3.3373	1.0872	3.3708	2.2324
C5	2.2758	3.2530	1.4157	2.3176		1.4556	2.2845	3.3888	1.0882	2.2800
C6	2.2758	3.2530	2.3176	1.4157	1.4556		3.3888	2.2845	2.2800	1.0882
H7	2.1837	2.5589	1.0872	3.3373	2.2845	3.3888		4.3041	2.7684	4.4196
H8	2.1837	2.5589	3.3373	1.0872	3.3888	2.2845	4.3041		4.4196	2.7684
H9	3.3275	4.2712	2.2324	3.3708	1.0882	2.2800	2.7684	4.4196		2.7576
H10	3.3275	4.2712	3.3708	2.2324	2.2800	1.0882	4.4196	2.7684	2.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.281	N1	C3	H7	121.394
N1	C4	C6	107.281	N1	C4	H8	121.394
H2	N1	C3	124.910	H2	N1	C4	124.910
C3	N1	C4	110.180	C3	C5	C6	107.629
C3	C5	H9	125.629	C4	C6	C5	107.629
C4	C6	H10	125.629	C5	C3	H7	131.325
C5	C6	H10	126.742	C6	C4	H8	131.325
C6	C5	H9	126.742

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)