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	hartrees
Energy at 0K	-208.876572
Energy at 298.15K	-208.881301
HF Energy	-208.197248
Nuclear repulsion energy	151.345595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3321	3116	0.85
2	A₁	3282	3079	1.92
3	A₁	1658	1555	3.54
4	A₁	1516	1423	28.40
5	A₁	1271	1192	5.00
6	A₁	1143	1072	41.98
7	A₁	1095	1027	0.01
8	A₁	911	855	11.81
9	A₂	874	820	0.00
10	A₂	859	806	0.00
11	A₂	509	477	0.00
12	B₁	866	813	0.00
13	B₁	721	677	64.73
14	B₁	574	539	25.80
15	B₂	11126	10440	0.00
16	B₂	3297	3094	102.58
17	B₂	3274	3072	130.84
18	B₂	1353	1270	7.86
19	B₂	1329	1247	215.09
20	B₂	1050	985	5.26
21	B₂	901	845	34.40

Atom	y (Å)	z (Å)
N1	0.000	1.243
C2	1.057	0.423
C3	-1.057	0.423
C4	0.681	-0.981
C5	-0.681	-0.981
H6	2.067	0.818
H7	-2.067	0.818
H8	1.358	-1.825
H9	-1.358	-1.825

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3375	1.3375	2.3262	2.3262	2.1103	2.1103	3.3551	3.3551
C2	1.3375		2.1135	1.4535	2.2345	1.0847	3.1486	2.2682	3.2991
C3	1.3375	2.1135		2.2345	1.4535	3.1486	1.0847	3.2991	2.2682
C4	2.3262	1.4535	2.2345		1.3628	2.2708	3.2849	1.0815	2.2069
C5	2.3262	2.2345	1.4535	1.3628		3.2849	2.2708	2.2069	1.0815
H6	2.1103	1.0847	3.1486	2.2708	3.2849		4.1340	2.7365	4.3261
H7	2.1103	3.1486	1.0847	3.2849	2.2708	4.1340		4.3261	2.7365
H8	3.3551	2.2682	3.2991	1.0815	2.2069	2.7365	4.3261		2.7156
H9	3.3551	3.2991	2.2682	2.2069	1.0815	4.3261	2.7365	2.7156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.845	N1	C2	H6	120.840
N1	C3	C5	112.845	N1	C3	H7	120.840
C2	N1	C3	104.381	C2	C4	C5	104.965
C2	C4	H8	126.321	C3	C5	C4	104.965
C3	C5	H9	126.321	C4	C2	H6	126.315
C4	C5	H9	128.714	C5	C3	H7	126.315
C5	C4	H8	128.714

All results from a given calculation for C₄H₄N (pyrrolide radical)

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 C4H4N (pyrrolide radical)

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

States and conformations

All results from a given calculation for C₄H₄N (pyrrolide radical)