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	hartrees
Energy at 0K	-207.409363
Energy at 298.15K
HF Energy	-207.015509
Nuclear repulsion energy	149.734540

Atom	y (Å)	z (Å)
N1	0.000	1.251
C2	1.083	0.433
C3	-1.083	0.433
C4	0.679	-0.993
C5	-0.679	-0.993
H6	2.087	0.820
H7	-2.087	0.820
H8	1.348	-1.837
H9	-1.348	-1.837

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3566	1.3566	2.3446	2.3446	2.1312	2.1312	3.3686	3.3686
C2	1.3566		2.1652	1.4824	2.2670	1.0766	3.1933	2.2852	3.3253
C3	1.3566	2.1652		2.2670	1.4824	3.1933	1.0766	3.3253	2.2852
C4	2.3446	1.4824	2.2670		1.3587	2.2958	3.3080	1.0759	2.1953
C5	2.3446	2.2670	1.4824	1.3587		3.3080	2.2958	2.1953	1.0759
H6	2.1312	1.0766	3.1933	2.2958	3.3080		4.1744	2.7577	4.3423
H7	2.1312	3.1933	1.0766	3.3080	2.2958	4.1744		4.3423	2.7577
H8	3.3686	2.2852	3.3253	1.0759	2.1953	2.7577	4.3423		2.6951
H9	3.3686	3.3253	2.2852	2.1953	1.0759	4.3423	2.7577	2.6951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.275	N1	C2	H6	121.876
N1	C3	C5	111.275	N1	C3	H7	121.876
C2	N1	C3	105.882	C2	C4	C5	105.784
C2	C4	H8	125.823	C3	C5	C4	105.784
C3	C5	H9	125.823	C4	C2	H6	126.849
C4	C5	H9	128.393	C5	C3	H7	126.849
C5	C4	H8	128.393

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

using model chemistry: CID/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: CID/3-21G*

States and conformations

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