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	hartrees
Energy at 0K	-209.193816
Energy at 298.15K
HF Energy	-208.724979
Nuclear repulsion energy	158.758504

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3684	3500	60.23
2	A₁	3298	3133	0.24
3	A₁	3272	3108	7.59
4	A₁	1496	1421	7.35
5	A₁	1426	1355	8.65
6	A₁	1162	1104	0.07
7	A₁	1118	1062	6.13
8	A₁	1047	995	30.56
9	A₁	916	870	0.59
10	A₂	745	708	0.00
11	A₂	614	583	0.00
12	A₂	571	543	0.00
13	B₁	750	713	46.88
14	B₁	673	640	138.40
15	B₁	623	592	6.82
16	B₁	526	499	99.85
17	B₂	3288	3124	8.51
18	B₂	3259	3097	2.50
19	B₂	1574	1495	8.41
20	B₂	1471	1398	18.99
21	B₂	1344	1277	0.00
22	B₂	1198	1138	0.43
23	B₂	1084	1030	19.67
24	B₂	898	854	1.03

Atom	y (Å)	z (Å)
N1	0.000	1.138
H2	0.000	2.148
C3	1.145	0.336
C4	-1.145	0.336
C5	0.720	-0.995
C6	-0.720	-0.995
H7	2.138	0.767
H8	-2.138	0.767
H9	1.367	-1.866
H10	-1.367	-1.866

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0100	1.3981	1.3981	2.2519	2.2519	2.1704	2.1704	3.3006	3.3006
H2	1.0100		2.1440	2.1440	3.2251	3.2251	2.5457	2.5457	4.2406	4.2406
C3	1.3981	2.1440		2.2894	1.3969	2.2911	1.0834	3.3114	2.2126	3.3399
C4	1.3981	2.1440	2.2894		2.2911	1.3969	3.3114	1.0834	3.3399	2.2126
C5	2.2519	3.2251	1.3969	2.2911		1.4405	2.2623	3.3584	1.0845	2.2615
C6	2.2519	3.2251	2.2911	1.3969	1.4405		3.3584	2.2623	2.2615	1.0845
H7	2.1704	2.5457	1.0834	3.3114	2.2623	3.3584		4.2769	2.7438	4.3842
H8	2.1704	2.5457	3.3114	1.0834	3.3584	2.2623	4.2769		4.3842	2.7438
H9	3.3006	4.2406	2.2126	3.3399	1.0845	2.2615	2.7438	4.3842		2.7340
H10	3.3006	4.2406	3.3399	2.2126	2.2615	1.0845	4.3842	2.7438	2.7340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.351	N1	C3	H7	121.481
N1	C4	C6	107.351	N1	C4	H8	121.481
H2	N1	C3	125.041	H2	N1	C4	125.041
C3	N1	C4	109.919	C3	C5	C6	107.690
C3	C5	H9	125.699	C4	C6	C5	107.690
C4	C6	H10	125.699	C5	C3	H7	131.168
C5	C6	H10	126.611	C6	C4	H8	131.168
C6	C5	H9	126.611

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP2=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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)