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	hartrees
Energy at 0K	-209.009801
Energy at 298.15K	-209.014472
HF Energy	-208.217908
Nuclear repulsion energy	150.901915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3305	3131	0.94
2	A₁	3259	3088	1.46
3	A₁	1593	1509	0.04
4	A₁	1475	1398	20.04
5	A₁	1218	1154	1.65
6	A₁	1111	1053	30.93
7	A₁	1059	1004	0.52
8	A₁	885	838	12.06
9	A₂	918	870	0.00
10	A₂	840	796	0.00
11	A₂	504	477	0.00
12	B₁	842	797	1.27
13	B₁	734	695	52.31
14	B₁	557	528	17.79
15	B₂	3284	3112	0.18
16	B₂	3255	3084	7.86
17	B₂	1534	1453	24.85
18	B₂	1313	1244	2.40
19	B₂	1174	1112	97.40
20	B₂	1034	979	0.57
21	B₂	821	777	1.88

Atom	y (Å)	z (Å)
N1	0.000	1.249
C2	1.062	0.425
C3	-1.062	0.425
C4	0.679	-0.986
C5	-0.679	-0.986
H6	2.071	0.818
H7	-2.071	0.818
H8	1.353	-1.828
H9	-1.353	-1.828

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3444	1.3444	2.3356	2.3356	2.1152	2.1152	3.3614	3.3614
C2	1.3444		2.1246	1.4619	2.2410	1.0824	3.1577	2.2716	3.3032
C3	1.3444	2.1246		2.2410	1.4619	3.1577	1.0824	3.3032	2.2716
C4	2.3356	1.4619	2.2410		1.3578	2.2783	3.2885	1.0790	2.1999
C5	2.3356	2.2410	1.4619	1.3578		3.2885	2.2783	2.1999	1.0790
H6	2.1152	1.0824	3.1577	2.2783	3.2885		4.1417	2.7412	4.3273
H7	2.1152	3.1577	1.0824	3.2885	2.2783	4.1417		4.3273	2.7412
H8	3.3614	2.2716	3.3032	1.0790	2.1999	2.7412	4.3273		2.7070
H9	3.3614	3.3032	2.2716	2.1999	1.0790	4.3273	2.7412	2.7070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.598	N1	C2	H6	120.914
N1	C3	C5	112.598	N1	C3	H7	120.914
C2	N1	C3	104.397	C2	C4	C5	105.203
C2	C4	H8	126.099	C3	C5	C4	105.203
C3	C5	H9	126.099	C4	C2	H6	126.487
C4	C5	H9	128.697	C5	C3	H7	126.487
C5	C4	H8	128.697

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

using model chemistry: QCISD/6-31G(2df,p)

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: QCISD/6-31G(2df,p)

States and conformations

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