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	hartrees
Energy at 0K	-209.209505
Energy at 298.15K
HF Energy	-208.267836
Nuclear repulsion energy	151.290986

Atom	y (Å)	z (Å)
N1	0.000	1.246
C2	1.061	0.423
C3	-1.061	0.423
C4	0.680	-0.982
C5	-0.680	-0.982
H6	2.064	0.813
H7	-2.064	0.813
H8	1.347	-1.822
H9	-1.347	-1.822

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3422	1.3422	2.3289	2.3289	2.1091	2.1091	3.3503	3.3503
C2	1.3422		2.1214	1.4558	2.2367	1.0762	3.1490	2.2632	3.2922
C3	1.3422	2.1214		2.2367	1.4558	3.1490	1.0762	3.2922	2.2632
C4	2.3289	1.4558	2.2367		1.3591	2.2664	3.2783	1.0730	2.1940
C5	2.3289	2.2367	1.4558	1.3591		3.2783	2.2664	2.1940	1.0730
H6	2.1091	1.0762	3.1490	2.2664	3.2783		4.1282	2.7301	4.3101
H7	2.1091	3.1490	1.0762	3.2783	2.2664	4.1282		4.3101	2.7301
H8	3.3503	2.2632	3.2922	1.0730	2.1940	2.7301	4.3101		2.6945
H9	3.3503	3.2922	2.2632	2.1940	1.0730	4.3101	2.7301	2.6945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.611	N1	C2	H6	121.007
N1	C3	C5	112.611	N1	C3	H7	121.007
C2	N1	C3	104.421	C2	C4	C5	105.178
C2	C4	H8	126.341	C3	C5	C4	105.178
C3	C5	H9	126.341	C4	C2	H6	126.382
C4	C5	H9	128.481	C5	C3	H7	126.382
C5	C4	H8	128.481

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

using model chemistry: CCSD(T)=FULL/cc-pVTZ

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: CCSD(T)=FULL/cc-pVTZ

States and conformations

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