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	hartrees
Energy at 0K	-208.933713
Energy at 298.15K
HF Energy	-208.212509
Nuclear repulsion energy	149.318038

Atom	y (Å)	z (Å)
N1	0.000	1.264
C2	1.070	0.429
C3	-1.070	0.429
C4	0.689	-0.996
C5	-0.689	-0.996
H6	2.092	0.827
H7	-2.092	0.827
H8	1.370	-1.851
H9	-1.370	-1.851

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3575	1.3575	2.3622	2.3622	2.1371	2.1371	3.4026	3.4026
C2	1.3575		2.1408	1.4750	2.2636	1.0964	3.1873	2.2993	3.3396
C3	1.3575	2.1408		2.2636	1.4750	3.1873	1.0964	3.3396	2.2993
C4	2.3622	1.4750	2.2636		1.3772	2.3004	3.3247	1.0934	2.2292
C5	2.3622	2.2636	1.4750	1.3772		3.3247	2.3004	2.2292	1.0934
H6	2.1371	1.0964	3.1873	2.3004	3.3247		4.1839	2.7733	4.3768
H7	2.1371	3.1873	1.0964	3.3247	2.3004	4.1839		4.3768	2.7733
H8	3.4026	2.2993	3.3396	1.0934	2.2292	2.7733	4.3768		2.7403
H9	3.4026	3.3396	2.2993	2.2292	1.0934	4.3768	2.7733	2.7403

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.953	N1	C2	H6	120.755
N1	C3	C5	112.953	N1	C3	H7	120.755
C2	N1	C3	104.089	C2	C4	C5	105.002
C2	C4	H8	126.437	C3	C5	C4	105.002
C3	C5	H9	126.437	C4	C2	H6	126.291
C4	C5	H9	128.561	C5	C3	H7	126.291
C5	C4	H8	128.561

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

using model chemistry: CCSD(T)/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: CCSD(T)/cc-pVDZ

States and conformations

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