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	hartrees
Energy at 0K	-209.507397
Energy at 298.15K	-209.513528
HF Energy	-208.792188
Nuclear repulsion energy	158.503074

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3303	3099	5.69
2	A'	3280	3078	3.52
3	A'	3244	3043	22.32
4	A'	3105	2914	5.77
5	A'	1719	1612	4.66
6	A'	1632	1531	8.60
7	A'	1491	1399	10.75
8	A'	1420	1332	17.57
9	A'	1368	1283	0.30
10	A'	1321	1239	0.04
11	A'	1156	1084	5.08
12	A'	1044	979	18.97
13	A'	1017	954	11.19
14	A'	968	908	2.30
15	A'	874	820	9.02
16	A'	850	798	5.02
17	A"	3145	2951	5.89
18	A"	1202	1128	0.33
19	A"	1013	951	19.33
20	A"	927	870	0.15
21	A"	917	861	2.66
22	A"	710	667	40.65
23	A"	550	516	2.70
24	A"	361	339	15.51

Atom	x (Å)	y (Å)	z (Å)
N1	1.152	0.430	0.000
C2	0.000	1.122	0.000
C3	-1.201	0.220	0.000
C4	-0.593	-1.057	0.000
C5	0.778	-0.875	0.000
H6	-0.087	1.778	0.873
H7	-0.087	1.778	-0.873
H8	-2.219	0.591	0.000
H9	-1.123	-1.996	0.000
H10	1.551	-1.627	0.000

	N1	C2	C3	C4	C5	H6	H7	H8	H9	H10
N1		1.3436	2.3621	2.2927	1.3573	2.0278	2.0278	3.3746	3.3260	2.0962
C2	1.3436		1.5025	2.2586	2.1433	1.0950	1.0950	2.2818	3.3143	3.1570
C3	2.3621	1.5025		1.4139	2.2617	2.1048	2.1048	1.0837	2.2168	3.3143
C4	2.2927	2.2586	1.4139		1.3836	3.0089	3.0089	2.3151	1.0782	2.2186
C5	1.3573	2.1433	2.2617	1.3836		2.9233	2.9233	3.3366	2.2076	1.0787
H6	2.0278	1.0950	2.1048	3.0089	2.9233		1.7457	2.5914	4.0094	3.8782
H7	2.0278	1.0950	2.1048	3.0089	2.9233	1.7457		2.5914	4.0094	3.8782
H8	3.3746	2.2818	1.0837	2.3151	3.3366	2.5914	2.5914		2.8093	4.3743
H9	3.3260	3.3143	2.2168	1.0782	2.2076	4.0094	4.0094	2.8093		2.6994
H10	2.0962	3.1570	3.3143	2.2186	1.0787	3.8782	3.8782	4.3743	2.6994

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C3	112.071	N1	C2	H6	112.116
N1	C2	H7	112.116	N1	C5	C4	113.540
N1	C5	H10	118.300	C2	N1	C5	105.035
C2	C3	C4	101.467	C2	C3	H8	123.027
C3	C2	H6	107.218	C3	C2	H7	107.218
C3	C4	C5	107.887	C3	C4	H9	125.081
C4	C3	H8	135.506	C4	C5	H10	128.160
C5	C4	H9	127.031	H6	C2	H7	105.715

All results from a given calculation for C₄H₅N (2H-pyrrole)

using model chemistry: MP3=FULL/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 (2H-pyrrole)

using model chemistry: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₄H₅N (2H-pyrrole)