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	hartrees
Energy at 0K	-208.965288
Energy at 298.15K
HF Energy	-208.221529
Nuclear repulsion energy	149.579931

Atom	y (Å)	z (Å)
N1	0.000	1.257
C2	1.069	0.427
C3	-1.069	0.427
C4	0.694	-0.991
C5	-0.694	-0.991
H6	2.088	0.828
H7	-2.088	0.828
H8	1.376	-1.844
H9	-1.376	-1.844

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3532	1.3532	2.3523	2.3523	2.1317	2.1317	3.3925	3.3925
C2	1.3532		2.1387	1.4671	2.2631	1.0950	3.1830	2.2924	3.3377
C3	1.3532	2.1387		2.2631	1.4671	3.1830	1.0950	3.3377	2.2924
C4	2.3523	1.4671	2.2631		1.3884	2.2921	3.3245	1.0923	2.2391
C5	2.3523	2.2631	1.4671	1.3884		3.3245	2.2921	2.2391	1.0923
H6	2.1317	1.0950	3.1830	2.2921	3.3245		4.1766	2.7662	4.3754
H7	2.1317	3.1830	1.0950	3.3245	2.2921	4.1766		4.3754	2.7662
H8	3.3925	2.2924	3.3377	1.0923	2.2391	2.7662	4.3754		2.7517
H9	3.3925	3.3377	2.2924	2.2391	1.0923	4.3754	2.7662	2.7517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.976	N1	C2	H6	120.722
N1	C3	C5	112.976	N1	C3	H7	120.722
C2	N1	C3	104.416	C2	C4	C5	104.816
C2	C4	H8	126.569	C3	C5	C4	104.816
C3	C5	H9	126.569	C4	C2	H6	126.301
C4	C5	H9	128.615	C5	C3	H7	126.301
C5	C4	H8	128.615

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

using model chemistry: MP4/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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