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	hartrees
Energy at 0K	-209.148629
Energy at 298.15K
HF Energy	-208.728333
Nuclear repulsion energy	159.962245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3789	3553	64.94
2	A₁	3352	3144	0.25
3	A₁	3323	3116	7.35
4	A₁	1556	1460	12.52
5	A₁	1479	1387	7.54
6	A₁	1210	1134	1.19
7	A₁	1133	1062	13.72
8	A₁	1072	1005	33.86
9	A₁	946	887	0.93
10	A₂	853	800	0.00
11	A₂	718	673	0.00
12	A₂	633	594	0.00
13	B₁	851	798	7.11
14	B₁	751	705	149.79
15	B₁	648	608	0.79
16	B₁	587	551	155.56
17	B₂	3342	3134	9.32
18	B₂	3310	3104	3.90
19	B₂	1653	1550	9.31
20	B₂	1525	1430	16.17
21	B₂	1383	1297	0.07
22	B₂	1224	1148	0.70
23	B₂	1121	1052	18.89
24	B₂	929	871	1.50

Atom	y (Å)	z (Å)
N1	0.000	1.130
H2	0.000	2.132
C3	1.134	0.331
C4	-1.134	0.331
C5	0.719	-0.985
C6	-0.719	-0.985
H7	2.125	0.758
H8	-2.125	0.758
H9	1.362	-1.853
H10	-1.362	-1.853

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0018	1.3879	1.3879	2.2347	2.2347	2.1568	2.1568	3.2795	3.2795
H2	1.0018		2.1288	2.1288	3.1995	3.1995	2.5299	2.5299	4.2114	4.2114
C3	1.3879	2.1288		2.2690	1.3801	2.2737	1.0784	3.2869	2.1956	3.3168
C4	1.3879	2.1288	2.2690		2.2737	1.3801	3.2869	1.0784	3.3168	2.1956
C5	2.2347	3.1995	1.3801	2.2737		1.4390	2.2395	3.3361	1.0795	2.2550
C6	2.2347	3.1995	2.2737	1.3801	1.4390		3.3361	2.2395	2.2550	1.0795
H7	2.1568	2.5299	1.0784	3.2869	2.2395	3.3361		4.2490	2.7205	4.3560
H8	2.1568	2.5299	3.2869	1.0784	3.3361	2.2395	4.2490		4.3560	2.7205
H9	3.2795	4.2114	2.1956	3.3168	1.0795	2.2550	2.7205	4.3560		2.7239
H10	3.2795	4.2114	3.3168	2.1956	2.2550	1.0795	4.3560	2.7205	2.7239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.673	N1	C3	H7	121.467
N1	C4	C6	107.673	N1	C4	H8	121.467
H2	N1	C3	125.172	H2	N1	C4	125.172
C3	N1	C4	109.657	C3	C5	C6	107.499
C3	C5	H9	125.982	C4	C6	C5	107.499
C4	C6	H10	125.982	C5	C3	H7	130.860
C5	C6	H10	126.519	C6	C4	H8	130.860
C6	C5	H9	126.519

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: CISD/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 (Pyrrole)

using model chemistry: CISD/6-31G

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)