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	hartrees
Energy at 0K	-209.192163
Energy at 298.15K	-209.198116
HF Energy	-208.746530
Nuclear repulsion energy	157.498739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3677	3541	65.26
2	A₁	3289	3168	0.15
3	A₁	3258	3138	9.22
4	A₁	1471	1417	9.23
5	A₁	1400	1349	5.89
6	A₁	1135	1094	0.00
7	A₁	1102	1061	4.77
8	A₁	1027	989	44.03
9	A₁	897	864	0.54
10	A₂	773	744	0.00
11	A₂	614	591	0.00
12	A₂	598	576	0.00
13	B₁	754	727	18.97
14	B₁	681	656	271.20
15	B₁	622	599	0.26
16	B₁	567	546	66.30
17	B₂	3279	3158	10.34
18	B₂	3241	3121	3.71
19	B₂	1545	1488	7.10
20	B₂	1444	1390	21.14
21	B₂	1322	1273	0.00
22	B₂	1194	1150	0.33
23	B₂	1061	1022	29.12
24	B₂	880	847	0.99

Atom	y (Å)	z (Å)
N1	0.000	1.147
H2	0.000	2.161
C3	1.154	0.341
C4	-1.154	0.341
C5	0.727	-1.006
C6	-0.727	-1.006
H7	2.149	0.776
H8	-2.149	0.776
H9	1.380	-1.876
H10	-1.380	-1.876

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0143	1.4076	1.4076	2.2721	2.2721	2.1804	2.1804	3.3230	3.3230
H2	1.0143		2.1553	2.1553	3.2493	3.2493	2.5561	2.5561	4.2666	4.2666
C3	1.4076	2.1553		2.3079	1.4129	2.3130	1.0862	3.3313	2.2285	3.3666
C4	1.4076	2.1553	2.3079		2.3130	1.4129	3.3313	1.0862	3.3666	2.2285
C5	2.2721	3.2493	1.4129	2.3130		1.4531	2.2805	3.3831	1.0881	2.2789
C6	2.2721	3.2493	2.3130	1.4129	1.4531		3.3831	2.2805	2.2789	1.0881
H7	2.1804	2.5561	1.0862	3.3313	2.2805	3.3831		4.2975	2.7622	4.4145
H8	2.1804	2.5561	3.3313	1.0862	3.3831	2.2805	4.2975		4.4145	2.7622
H9	3.3230	4.2666	2.2285	3.3666	1.0881	2.2789	2.7622	4.4145		2.7593
H10	3.3230	4.2666	3.3666	2.2285	2.2789	1.0881	4.4145	2.7622	2.7593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.330	N1	C3	H7	121.401
N1	C4	C6	107.330	N1	C4	H8	121.401
H2	N1	C3	124.936	H2	N1	C4	124.936
C3	N1	C4	110.129	C3	C5	C6	107.606
C3	C5	H9	125.512	C4	C6	C5	107.606
C4	C6	H10	125.512	C5	C3	H7	131.269
C5	C6	H10	126.883	C6	C4	H8	131.269
C6	C5	H9	126.883

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)