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	hartrees
Energy at 0K	-209.688396
Energy at 298.15K	-209.694368
HF Energy	-208.858252
Nuclear repulsion energy	160.776793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3709	3518	77.03
2	A₁	3310	3140	0.16
3	A₁	3289	3120	2.47
4	A₁	1518	1440	7.59
5	A₁	1441	1367	4.03
6	A₁	1185	1124	2.73
7	A₁	1112	1055	6.30
8	A₁	1049	995	24.59
9	A₁	894	848	0.10
10	A₂	804	763	0.00
11	A₂	650	617	0.00
12	A₂	583	553	0.00
13	B₁	789	748	7.04
14	B₁	712	675	159.79
15	B₁	638	606	1.13
16	B₁	451	428	64.74
17	B₂	3303	3133	3.00
18	B₂	3278	3110	1.95
19	B₂	1568	1488	2.49
20	B₂	1505	1428	11.10
21	B₂	1312	1245	1.57
22	B₂	1177	1117	2.99
23	B₂	1070	1015	24.36
24	B₂	871	826	1.09

Atom	y (Å)	z (Å)
N1	0.000	1.119
H2	0.000	2.126
C3	1.125	0.336
C4	-1.125	0.336
C5	0.710	-0.986
C6	-0.710	-0.986
H7	2.112	0.772
H8	-2.112	0.772
H9	1.360	-1.849
H10	-1.360	-1.849

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0068	1.3706	1.3706	2.2220	2.2220	2.1404	2.1404	3.2652	3.2652
H2	1.0068		2.1142	2.1142	3.1923	3.1923	2.5087	2.5087	4.2015	4.2015
C3	1.3706	2.1142		2.2491	1.3855	2.2613	1.0796	3.2659	2.1976	3.3087
C4	1.3706	2.1142	2.2491		2.2613	1.3855	3.2659	1.0796	3.3087	2.1976
C5	2.2220	3.1923	1.3855	2.2613		1.4199	2.2490	3.3251	1.0804	2.2427
C6	2.2220	3.1923	2.2613	1.3855	1.4199		3.3251	2.2490	2.2427	1.0804
H7	2.1404	2.5087	1.0796	3.2659	2.2490	3.3251		4.2241	2.7271	4.3505
H8	2.1404	2.5087	3.2659	1.0796	3.3251	2.2490	4.2241		4.3505	2.7271
H9	3.2652	4.2015	2.1976	3.3087	1.0804	2.2427	2.7271	4.3505		2.7201
H10	3.2652	4.2015	3.3087	2.1976	2.2427	1.0804	4.3505	2.7271	2.7201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.453	N1	C3	H7	121.291
N1	C4	C6	107.453	N1	C4	H8	121.291
H2	N1	C3	124.865	H2	N1	C4	124.865
C3	N1	C4	110.269	C3	C5	C6	107.412
C3	C5	H9	125.595	C4	C6	C5	107.412
C4	C6	H10	125.595	C5	C3	H7	131.256
C5	C6	H10	126.993	C6	C4	H8	131.256
C6	C5	H9	126.993

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP2=FULL/6-311G**

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/6-311G**

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)