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	hartrees
Energy at 0K	-208.913970
Energy at 298.15K
HF Energy	-208.196134
Nuclear repulsion energy	150.726287

Atom	y (Å)	z (Å)
N1	0.000	1.250
C2	1.060	0.423
C3	-1.060	0.423
C4	0.687	-0.984
C5	-0.687	-0.984
H6	2.074	0.820
H7	-2.074	0.820
H8	1.364	-1.832
H9	-1.364	-1.832

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3444	1.3444	2.3365	2.3365	2.1180	2.1180	3.3700	3.3700
C2	1.3444		2.1209	1.4558	2.2431	1.0886	3.1596	2.2756	3.3111
C3	1.3444	2.1209		2.2431	1.4558	3.1596	1.0886	3.3111	2.2756
C4	2.3365	1.4558	2.2431		1.3730	2.2759	3.2978	1.0855	2.2189
C5	2.3365	2.2431	1.4558	1.3730		3.2978	2.2759	2.2189	1.0855
H6	2.1180	1.0886	3.1596	2.2759	3.2978		4.1481	2.7458	4.3421
H7	2.1180	3.1596	1.0886	3.2978	2.2759	4.1481		4.3421	2.7458
H8	3.3700	2.2756	3.3111	1.0855	2.2189	2.7458	4.3421		2.7277
H9	3.3700	3.3111	2.2756	2.2189	1.0855	4.3421	2.7458	2.7277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.044	N1	C2	H6	120.679
N1	C3	C5	113.044	N1	C3	H7	120.679
C2	N1	C3	104.143	C2	C4	C5	104.884
C2	C4	H8	126.510	C3	C5	C4	104.884
C3	C5	H9	126.510	C4	C2	H6	126.277
C4	C5	H9	128.606	C5	C3	H7	126.277
C5	C4	H8	128.606

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

using model chemistry: MP4=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: MP4=FULL/6-31G*

States and conformations

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