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	hartrees
Energy at 0K	-208.112459
Energy at 298.15K
HF Energy	-207.643489
Nuclear repulsion energy	158.973380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3613	3425	71.54
2	A₁	3309	3137	0.06
3	A₁	3283	3112	3.76
4	A₁	1482	1405	2.39
5	A₁	1394	1321	10.77
6	A₁	1158	1098	0.18
7	A₁	1101	1044	7.46
8	A₁	1032	978	24.85
9	A₁	928	880	0.54
10	A₂	804	762	0.00
11	A₂	678	642	0.00
12	A₂	626	594	0.00
13	B₁	802	760	6.20
14	B₁	722	685	150.87
15	B₁	647	613	0.28
16	B₁	565	535	116.76
17	B₂	3298	3127	4.26
18	B₂	3273	3102	1.31
19	B₂	1556	1475	10.95
20	B₂	1438	1363	14.73
21	B₂	1343	1273	0.54
22	B₂	1185	1124	0.01
23	B₂	1064	1009	20.42
24	B₂	914	867	0.73

Atom	y (Å)	z (Å)
N1	0.000	1.140
H2	0.000	2.152
C3	1.143	0.333
C4	-1.143	0.333
C5	0.720	-0.993
C6	-0.720	-0.993
H7	2.134	0.758
H8	-2.134	0.758
H9	1.363	-1.861
H10	-1.363	-1.861

	N1	H2	C3	C4	C5	C6	H7	H8	H9	H10
N1		1.0121	1.3992	1.3992	2.2520	2.2520	2.1684	2.1684	3.2963	3.2963
H2	1.0121		2.1487	2.1487	3.2273	3.2273	2.5498	2.5498	4.2386	4.2386
C3	1.3992	2.1487		2.2854	1.3920	2.2866	1.0789	3.3045	2.2049	3.3301
C4	1.3992	2.1487	2.2854		2.2866	1.3920	3.3045	1.0789	3.3301	2.2049
C5	2.2520	3.2273	1.3920	2.2866		1.4399	2.2510	3.3486	1.0797	2.2560
C6	2.2520	3.2273	2.2866	1.3920	1.4399		3.3486	2.2510	2.2560	1.0797
H7	2.1684	2.5498	1.0789	3.3045	2.2510	3.3486		4.2688	2.7300	4.3688
H8	2.1684	2.5498	3.3045	1.0789	3.3486	2.2510	4.2688		4.3688	2.7300
H9	3.2963	4.2386	2.2049	3.3301	1.0797	2.2560	2.7300	4.3688		2.7252
H10	3.2963	4.2386	3.3301	2.2049	2.2560	1.0797	4.3688	2.7300	2.7252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C3	C5	107.571	N1	C3	H7	121.563
N1	C4	C6	107.571	N1	C4	H8	121.563
H2	N1	C3	125.250	H2	N1	C4	125.250
C3	N1	C4	109.500	C3	C5	C6	107.679
C3	C5	H9	125.791	C4	C6	C5	107.679
C4	C6	H10	125.791	C5	C3	H7	130.867
C5	C6	H10	126.530	C6	C4	H8	130.867
C6	C5	H9	126.530

All results from a given calculation for C₄H₅N (Pyrrole)

using model chemistry: MP2=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for C₄H₅N (Pyrrole)