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	hartrees
Energy at 0K	-207.498802
Energy at 298.15K
HF Energy	-207.012769
Nuclear repulsion energy	148.512565

Atom	y (Å)	z (Å)
N1	0.000	1.263
C2	1.088	0.435
C3	-1.088	0.435
C4	0.690	-1.001
C5	-0.690	-1.001
H6	2.099	0.826
H7	-2.099	0.826
H8	1.363	-1.850
H9	-1.363	-1.850

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3676	1.3676	2.3673	2.3673	2.1443	2.1443	3.3992	3.3992
C2	1.3676		2.1760	1.4898	2.2856	1.0844	3.2112	2.3017	3.3513
C3	1.3676	2.1760		2.2856	1.4898	3.2112	1.0844	3.3513	2.3017
C4	2.3673	1.4898	2.2856		1.3809	2.3072	3.3348	1.0837	2.2226
C5	2.3673	2.2856	1.4898	1.3809		3.3348	2.3072	2.2226	1.0837
H6	2.1443	1.0844	3.2112	2.3072	3.3348		4.1985	2.7759	4.3765
H7	2.1443	3.2112	1.0844	3.3348	2.3072	4.1985		4.3765	2.7759
H8	3.3992	2.3017	3.3513	1.0837	2.2226	2.7759	4.3765		2.7268
H9	3.3992	3.3513	2.3017	2.2226	1.0837	4.3765	2.7759	2.7268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.818	N1	C2	H6	121.547
N1	C3	C5	111.818	N1	C3	H7	121.547
C2	N1	C3	105.411	C2	C4	C5	105.477
C2	C4	H8	126.135	C3	C5	C4	105.477
C3	C5	H9	126.135	C4	C2	H6	126.635
C4	C5	H9	128.389	C5	C3	H7	126.635
C5	C4	H8	128.389

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

using model chemistry: MP4=FULL/3-21G

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/3-21G

States and conformations

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