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	hartrees
Energy at 0K	-208.891395
Energy at 298.15K
HF Energy	-208.195928
Nuclear repulsion energy	150.587927

Atom	y (Å)	z (Å)
N1	0.000	1.251
C2	1.061	0.424
C3	-1.061	0.424
C4	0.687	-0.985
C5	-0.687	-0.985
H6	2.075	0.821
H7	-2.075	0.821
H8	1.365	-1.833
H9	-1.365	-1.833

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3459	1.3459	2.3392	2.3392	2.1194	2.1194	3.3729	3.3729
C2	1.3459		2.1227	1.4572	2.2452	1.0889	3.1616	2.2771	3.3136
C3	1.3459	2.1227		2.2452	1.4572	3.1616	1.0889	3.3136	2.2771
C4	2.3392	1.4572	2.2452		1.3745	2.2773	3.3002	1.0859	2.2207
C5	2.3392	2.2452	1.4572	1.3745		3.3002	2.2773	2.2207	1.0859
H6	2.1194	1.0889	3.1616	2.2773	3.3002		4.1504	2.7473	4.3449
H7	2.1194	3.1616	1.0889	3.3002	2.2773	4.1504		4.3449	2.7473
H8	3.3729	2.2771	3.3136	1.0859	2.2207	2.7473	4.3449		2.7299
H9	3.3729	3.3136	2.2771	2.2207	1.0859	4.3449	2.7473	2.7299

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.071	N1	C2	H6	120.661
N1	C3	C5	113.071	N1	C3	H7	120.661
C2	N1	C3	104.108	C2	C4	C5	104.875
C2	C4	H8	126.507	C3	C5	C4	104.875
C3	C5	H9	126.507	C4	C2	H6	126.268
C4	C5	H9	128.617	C5	C3	H7	126.268
C5	C4	H8	128.617

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

using model chemistry: MP4/6-31G*

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: MP4/6-31G*

States and conformations

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