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	hartrees
Energy at 0K	-209.456128
Energy at 298.15K	-209.462143
HF Energy	-208.787854
Nuclear repulsion energy	158.316347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3306	3118	7.00
2	A'	3282	3095	4.00
3	A'	3247	3062	10.60
4	A'	3097	2920	0.84
5	A'	1627	1534	7.76
6	A'	1578	1488	8.03
7	A'	1469	1385	17.81
8	A'	1388	1309	16.74
9	A'	1327	1251	6.82
10	A'	1304	1230	9.14
11	A'	1164	1097	2.74
12	A'	1048	989	4.12
13	A'	1003	945	12.89
14	A'	977	922	8.14
15	A'	858	809	0.72
16	A'	844	796	3.58
17	A"	3145	2965	1.76
18	A"	1145	1080	0.00
19	A"	973	917	11.77
20	A"	905	853	1.51
21	A"	774	730	0.45
22	A"	717	676	36.31
23	A"	526	496	12.53
24	A"	337	318	4.34

Atom	x (Å)	y (Å)	z (Å)
N1	1.144	0.554	0.000
C2	0.000	1.160	0.000
C3	-1.188	0.232	0.000
C4	-0.484	-1.093	0.000
C5	0.843	-0.846	0.000
H6	-0.074	2.246	0.000
H7	-1.822	0.385	0.883
H8	-1.822	0.385	-0.883
H9	-0.974	-2.059	0.000
H10	1.664	-1.554	0.000

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10
N1		1.2942	2.3533	2.3153	1.4311	2.0849	3.0992	3.0992	3.3631	2.1706
C2	1.2942		1.5070	2.3040	2.1752	1.0890	2.1684	2.1684	3.3631	3.1832
C3	2.3533	1.5070		1.5001	2.2990	2.3015	1.0982	1.0982	2.3014	3.3652
C4	2.3153	2.3040	1.5001		1.3501	3.3641	2.1801	2.1801	1.0834	2.1978
C5	1.4311	2.1752	2.2990	1.3501		3.2248	3.0654	3.0654	2.1849	1.0846
H6	2.0849	1.0890	2.3015	3.3641	3.2248		2.7024	2.7024	4.3985	4.1785
H7	3.0992	2.1684	1.0982	2.1801	3.0654	2.7024		1.7664	2.7336	4.0859
H8	3.0992	2.1684	1.0982	2.1801	3.0654	2.7024	1.7664		2.7336	4.0859
H9	3.3631	3.3631	2.3014	1.0834	2.1849	4.3985	2.7336	2.7336		2.6864
H10	2.1706	3.1832	3.3652	2.1978	1.0846	4.1785	4.0859	4.0859	2.6864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.088	N1	C2	H6	121.812
N1	C5	C4	112.676	N1	C5	H10	118.628
C2	N1	C5	105.801	C2	C3	C4	100.023
C2	C3	H7	111.718	C2	C3	H8	111.718
C3	C2	H6	124.100	C3	C4	C5	107.412
C3	C4	H9	125.178	C4	C3	H7	113.172
C4	C3	H8	113.172	C4	C5	H10	128.696
C5	C4	H9	127.410	H7	C3	H8	107.080

All results from a given calculation for C₄H₅N (3H-pyrrole)

using model chemistry: MP2/6-31G*

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 (3H-pyrrole)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for C₄H₅N (3H-pyrrole)