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	hartrees
Energy at 0K	-209.528539
Energy at 298.15K	-209.534531
HF Energy	-208.827686
Nuclear repulsion energy	158.288027

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3117	8.15
2	A'	3255	3094	3.87
3	A'	3220	3060	11.20
4	A'	3076	2923	1.59
5	A'	1601	1522	9.35
6	A'	1550	1473	5.73
7	A'	1439	1368	21.69
8	A'	1366	1298	18.04
9	A'	1306	1241	8.87
10	A'	1282	1218	9.35
11	A'	1143	1087	3.91
12	A'	1043	991	3.82
13	A'	990	941	17.09
14	A'	964	917	8.44
15	A'	850	808	1.00
16	A'	841	800	3.23
17	A"	3125	2969	2.10
18	A"	1137	1081	0.01
19	A"	952	905	16.74
20	A"	900	855	3.00
21	A"	765	727	0.13
22	A"	706	671	44.81
23	A"	526	500	13.09
24	A"	324	308	4.13

Atom	x (Å)	y (Å)	z (Å)
N1	1.142	0.556	0.000
C2	0.000	1.160	0.000
C3	-1.189	0.230	0.000
C4	-0.484	-1.096	0.000
C5	0.844	-0.843	0.000
H6	-0.071	2.246	0.000
H7	-1.822	0.382	0.883
H8	-1.822	0.382	-0.883
H9	-0.970	-2.064	0.000
H10	1.666	-1.549	0.000

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10
N1		1.2915	2.3532	2.3178	1.4309	2.0802	3.0977	3.0977	3.3650	2.1695
C2	1.2915		1.5090	2.3069	2.1733	1.0886	2.1693	2.1693	3.3664	3.1802
C3	2.3532	1.5090		1.5017	2.2982	2.3047	1.0973	1.0973	2.3046	3.3639
C4	2.3178	2.3069	1.5017		1.3512	3.3672	2.1803	2.1803	1.0831	2.1973
C5	1.4309	2.1733	2.2982	1.3512		3.2219	3.0636	3.0636	2.1857	1.0840
H6	2.0802	1.0886	2.3047	3.3672	3.2219		2.7058	2.7058	4.4026	4.1739
H7	3.0977	2.1693	1.0973	2.1803	3.0636	2.7058		1.7662	2.7364	4.0836
H8	3.0977	2.1693	1.0973	2.1803	3.0636	2.7058	1.7662		2.7364	4.0836
H9	3.3650	3.3664	2.3046	1.0831	2.1857	4.4026	2.7364	2.7364		2.6856
H10	2.1695	3.1802	3.3639	2.1973	1.0840	4.1739	4.0836	4.0836	2.6856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	114.114	N1	C2	H6	121.620
N1	C5	C4	112.810	N1	C5	H10	118.592
C2	N1	C5	105.826	C2	C3	C4	100.036
C2	C3	H7	111.701	C2	C3	H8	111.701
C3	C2	H6	124.266	C3	C4	C5	107.215
C3	C4	H9	125.367	C4	C3	H7	113.129
C4	C3	H8	113.129	C4	C5	H10	128.598
C5	C4	H9	127.418	H7	C3	H8	107.176

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

using model chemistry: MP2/6-311G*

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 (3H-pyrrole)

using model chemistry: MP2/6-311G*

States and conformations

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