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	hartrees
Energy at 0K	-209.627237
Energy at 298.15K
HF Energy	-208.876627
Nuclear repulsion energy	161.257752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3765	3521	78.41
2	A₁	3340	3124	0.16
3	A₁	3319	3104	2.93
4	A₁	1545	1445	14.18
5	A₁	1451	1357	5.70
6	A₁	1194	1117	3.16
7	A₁	1116	1044	14.63
8	A₁	1057	988	28.53
9	A₁	912	853	0.40
10	A₂	696	651	0.00
11	A₂	586	548	0.00
12	A₂	282i	264i	0.00
13	B₁	729	682	23.37
14	B₁	676	632	170.82
15	B₁	586	548	1.97
16	B₁	151	142	52.04
17	B₂	3333	3117	3.82
18	B₂	3308	3093	2.41
19	B₂	1617	1512	2.05
20	B₂	1505	1408	13.26
21	B₂	1345	1258	0.92
22	B₂	1189	1112	1.42
23	B₂	1093	1022	22.31
24	B₂	892	834	1.84

Atom	y (Å)	z (Å)
N1	0.000	1.120
H2	0.000	2.121
C3	1.121	0.330
C4	-1.121	0.330
C5	0.712	-0.980
C6	-0.712	-0.980
H7	2.106	0.762
H8	-2.106	0.762
H9	1.358	-1.840
H10	-1.358	-1.840

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0012	1.3713	1.3713	2.2174	2.2174	2.1357	2.1357	3.2566	3.2566
H2	1.0012		2.1128	2.1128	3.1818	3.1818	2.5059	2.5059	4.1874	4.1874
C3	1.3713	2.1128		2.2426	1.3727	2.2538	1.0748	3.2556	2.1833	3.2952
C4	1.3713	2.1128	2.2426		2.2538	1.3727	3.2556	1.0748	3.2952	2.1833
C5	2.2174	3.1818	1.3727	2.2538		1.4248	2.2307	3.3130	1.0755	2.2421
C6	2.2174	3.1818	2.2538	1.3727	1.4248		3.3130	2.2307	2.2421	1.0755
H7	2.1357	2.5059	1.0748	3.2556	2.2307	3.3130		4.2110	2.7075	4.3323
H8	2.1357	2.5059	3.2556	1.0748	3.3130	2.2307	4.2110		4.3323	2.7075
H9	3.2566	4.1874	2.1833	3.2952	1.0755	2.2421	2.7075	4.3323		2.7163
H10	3.2566	4.1874	3.2952	2.1833	2.2421	1.0755	4.3323	2.7075	2.7163

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.816	N1	C3	H7	121.161
N1	C4	C6	107.816	N1	C4	H8	121.161
H2	N1	C3	125.147	H2	N1	C4	125.147
C3	N1	C4	109.706	C3	C5	C6	107.331
C3	C5	H9	125.769	C4	C6	C5	107.331
C4	C6	H10	125.769	C5	C3	H7	131.024
C5	C6	H10	126.899	C6	C4	H8	131.024
C6	C5	H9	126.899

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP3/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)