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	hartrees
Energy at 0K	-208.929114
Energy at 298.15K
HF Energy	-208.212685
Nuclear repulsion energy	149.768844

Atom	y (Å)	z (Å)
N1	0.000	1.258
C2	1.064	0.428
C3	-1.064	0.428
C4	0.692	-0.992
C5	-0.692	-0.992
H6	2.086	0.827
H7	-2.086	0.827
H8	1.375	-1.845
H9	-1.375	-1.845

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3498	1.3498	2.3540	2.3540	2.1297	2.1297	3.3947	3.3947
C2	1.3498		2.1280	1.4672	2.2580	1.0967	3.1747	2.2942	3.3341
C3	1.3498	2.1280		2.2580	1.4672	3.1747	1.0967	3.3341	2.2942
C4	2.3540	1.4672	2.2580		1.3845	2.2907	3.3199	1.0933	2.2368
C5	2.3540	2.2580	1.4672	1.3845		3.3199	2.2907	2.2368	1.0933
H6	2.1297	1.0967	3.1747	2.2907	3.3199		4.1710	2.7647	4.3722
H7	2.1297	3.1747	1.0967	3.3199	2.2907	4.1710		4.3722	2.7647
H8	3.3947	2.2942	3.3341	1.0933	2.2368	2.7647	4.3722		2.7505
H9	3.3947	3.3341	2.2942	2.2368	1.0933	4.3722	2.7647	2.7505

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.300	N1	C2	H6	120.687
N1	C3	C5	113.300	N1	C3	H7	120.687
C2	N1	C3	104.044	C2	C4	C5	104.678
C2	C4	H8	126.658	C3	C5	C4	104.678
C3	C5	H9	126.658	C4	C2	H6	126.013
C4	C5	H9	128.664	C5	C3	H7	126.013
C5	C4	H8	128.664

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

using model chemistry: MP4/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/cc-pVDZ

States and conformations

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