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	hartrees
Energy at 0K	-208.915695
Energy at 298.15K	-208.920374
HF Energy	-208.213855
Nuclear repulsion energy	149.848089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3293	3293	1.30
2	A₁	3249	3249	2.41
3	A₁	1598	1598	0.17
4	A₁	1487	1487	21.56
5	A₁	1212	1212	1.30
6	A₁	1101	1101	29.44
7	A₁	1048	1048	0.09
8	A₁	880	880	10.96
9	A₂	905	905	0.00
10	A₂	831	831	0.00
11	A₂	498	498	0.00
12	B₁	830	830	0.78
13	B₁	720	720	58.14
14	B₁	553	553	17.81
15	B₂	3274	3274	4.03
16	B₂	3246	3246	1.36
17	B₂	2100	2100	1677.88
18	B₂	1308	1308	36.42
19	B₂	1265	1265	115.85
20	B₂	1028	1028	0.44
21	B₂	861	861	2.29

Atom	y (Å)	z (Å)
N1	0.000	1.258
C2	1.068	0.429
C3	-1.068	0.429
C4	0.685	-0.993
C5	-0.685	-0.993
H6	2.087	0.826
H7	-2.087	0.826
H8	1.365	-1.845
H9	-1.365	-1.845

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3516	1.3516	2.3521	2.3521	2.1308	2.1308	3.3898	3.3898
C2	1.3516		2.1351	1.4720	2.2561	1.0937	3.1790	2.2933	3.3297
C3	1.3516	2.1351		2.2561	1.4720	3.1790	1.0937	3.3297	2.2933
C4	2.3521	1.4720	2.2561		1.3690	2.2962	3.3145	1.0907	2.2196
C5	2.3521	2.2561	1.4720	1.3690		3.3145	2.2962	2.2196	1.0907
H6	2.1308	1.0937	3.1790	2.2962	3.3145		4.1731	2.7669	4.3643
H7	2.1308	3.1790	1.0937	3.3145	2.2962	4.1731		4.3643	2.7669
H8	3.3898	2.2933	3.3297	1.0907	2.2196	2.7669	4.3643		2.7296
H9	3.3898	3.3297	2.2933	2.2196	1.0907	4.3643	2.7669	2.7296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.748	N1	C2	H6	120.874
N1	C3	C5	112.748	N1	C3	H7	120.874
C2	N1	C3	104.340	C2	C4	C5	105.082
C2	C4	H8	126.332	C3	C5	C4	105.082
C3	C5	H9	126.332	C4	C2	H6	126.378
C4	C5	H9	128.586	C5	C3	H7	126.378
C5	C4	H8	128.586

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVDZ

States and conformations

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