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	hartrees
Energy at 0K	-208.895901
Energy at 298.15K
HF Energy	-208.195914
Nuclear repulsion energy	150.148986

Atom	y (Å)	z (Å)
N1	0.000	1.257
C2	1.068	0.425
C3	-1.068	0.425
C4	0.684	-0.989
C5	-0.684	-0.989
H6	2.082	0.821
H7	-2.082	0.821
H8	1.361	-1.838
H9	-1.361	-1.838

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3532	1.3532	2.3471	2.3471	2.1267	2.1267	3.3803	3.3803
C2	1.3532		2.1350	1.4650	2.2506	1.0888	3.1740	2.2816	3.3193
C3	1.3532	2.1350		2.2506	1.4650	3.1740	1.0888	3.3193	2.2816
C4	2.3471	1.4650	2.2506		1.3671	2.2871	3.3050	1.0861	2.2138
C5	2.3471	2.2506	1.4650	1.3671		3.3050	2.2871	2.2138	1.0861
H6	2.1267	1.0888	3.1740	2.2871	3.3050		4.1633	2.7549	4.3500
H7	2.1267	3.1740	1.0888	3.3050	2.2871	4.1633		4.3500	2.7549
H8	3.3803	2.2816	3.3193	1.0861	2.2138	2.7549	4.3500		2.7221
H9	3.3803	3.3193	2.2816	2.2138	1.0861	4.3500	2.7549	2.7221

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.724	N1	C2	H6	120.739
N1	C3	C5	112.724	N1	C3	H7	120.739
C2	N1	C3	104.165	C2	C4	C5	105.193
C2	C4	H8	126.215	C3	C5	C4	105.193
C3	C5	H9	126.215	C4	C2	H6	126.537
C4	C5	H9	128.592	C5	C3	H7	126.537
C5	C4	H8	128.592

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

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