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	hartrees
Energy at 0K	-34.833739
Energy at 298.15K	-34.839708
HF Energy	-34.421628
Nuclear repulsion energy	81.134073

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3686	3562	55.41
2	A₁	3268	3158	0.32
3	A₁	3236	3127	12.98
4	A₁	1474	1424	11.75
5	A₁	1404	1357	3.33
6	A₁	1127	1089	0.09
7	A₁	1095	1058	4.98
8	A₁	1024	990	42.35
9	A₁	879	850	0.39
10	A₂	780	754	0.00
11	A₂	650	629	0.00
12	A₂	597	577	0.00
13	B₁	774	748	48.47
14	B₁	698	675	247.39
15	B₁	625	604	17.27
16	B₁	544	526	62.39
17	B₂	3257	3148	21.35
18	B₂	3217	3108	2.10
19	B₂	1541	1489	6.58
20	B₂	1445	1397	19.60
21	B₂	1304	1260	0.04
22	B₂	1181	1142	0.47
23	B₂	1057	1021	27.98
24	B₂	865	835	0.98

Atom	y (Å)	z (Å)
N1	0.000	1.141
H2	0.000	2.160
C3	1.163	0.332
C4	-1.163	0.332
C5	0.734	-1.032
C6	-0.734	-1.032
H7	2.164	0.773
H8	-2.164	0.773
H9	1.391	-1.907
H10	-1.391	-1.907

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0189	1.4165	1.4165	2.2943	2.2943	2.1946	2.1946	3.3509	3.3509
H2	1.0189		2.1663	2.1663	3.2760	3.2760	2.5698	2.5698	4.2987	4.2987
C3	1.4165	2.1663		2.3255	1.4308	2.3365	1.0937	3.3554	2.2513	3.3966
C4	1.4165	2.1663	2.3255		2.3365	1.4308	3.3554	1.0937	3.3966	2.2513
C5	2.2943	3.2760	1.4308	2.3365		1.4672	2.3035	3.4139	1.0942	2.2975
C6	2.2943	3.2760	2.3365	1.4308	1.4672		3.4139	2.3035	2.2975	1.0942
H7	2.1946	2.5698	1.0937	3.3554	2.3035	3.4139		4.3271	2.7898	4.4520
H8	2.1946	2.5698	3.3554	1.0937	3.4139	2.3035	4.3271		4.4520	2.7898
H9	3.3509	4.2987	2.2513	3.3966	1.0942	2.2975	2.7898	4.4520		2.7818
H10	3.3509	4.2987	3.3966	2.2513	2.2975	1.0942	4.4520	2.7898	2.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.374	N1	C3	H7	121.391
N1	C4	C6	107.374	N1	C4	H8	121.391
H2	N1	C3	124.827	H2	N1	C4	124.827
C3	N1	C4	110.345	C3	C5	C6	107.454
C3	C5	H9	125.624	C4	C6	C5	107.454
C4	C6	H10	125.624	C5	C3	H7	131.235
C5	C6	H10	126.922	C6	C4	H8	131.235
C6	C5	H9	126.922

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)