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	hartrees
Energy at 0K	-208.557237
Energy at 298.15K	-208.561863
HF Energy	-208.098668
Nuclear repulsion energy	148.932225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3260	3128	0.69
2	A₁	3237	3106	5.60
3	A₁	1567	1504	0.06
4	A₁	1432	1374	14.42
5	A₁	1220	1170	2.95
6	A₁	1108	1063	29.19
7	A₁	1051	1008	8.73
8	A₁	909	872	10.74
9	A₂	826	793	0.00
10	A₂	789	757	0.00
11	A₂	500	480	0.00
12	B₁	805	772	0.22
13	B₁	689	661	83.34
14	B₁	566	543	21.34
15	B₂	5884	5645	147708.20
16	B₂	3231	3100	162.39
17	B₂	3225	3094	0.13
18	B₂	1332	1278	37.61
19	B₂	1288	1236	81.44
20	B₂	1000	959	4.40
21	B₂	886	850	4.47

Atom	y (Å)	z (Å)
N1	0.000	1.255
C2	1.087	0.432
C3	-1.087	0.432
C4	0.690	-0.995
C5	-0.690	-0.995
H6	2.097	0.834
H7	-2.097	0.834
H8	1.366	-1.847
H9	-1.366	-1.847

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3632	1.3632	2.3537	2.3537	2.1392	2.1392	3.3892	3.3892
C2	1.3632		2.1733	1.4816	2.2787	1.0877	3.2093	2.2959	3.3477
C3	1.3632	2.1733		2.2787	1.4816	3.2093	1.0877	3.3477	2.2959
C4	2.3537	1.4816	2.2787		1.3791	2.3083	3.3337	1.0873	2.2247
C5	2.3537	2.2787	1.4816	1.3791		3.3337	2.3083	2.2247	1.0873
H6	2.1392	1.0877	3.2093	2.3083	3.3337		4.1948	2.7788	4.3794
H7	2.1392	3.2093	1.0877	3.3337	2.3083	4.1948		4.3794	2.7788
H8	3.3892	2.2959	3.3477	1.0873	2.2247	2.7788	4.3794		2.7314
H9	3.3892	3.3477	2.2959	2.2247	1.0873	4.3794	2.7788	2.7314

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.594	N1	C2	H6	121.173
N1	C3	C5	111.594	N1	C3	H7	121.173
C2	N1	C3	105.719	C2	C4	C5	105.546
C2	C4	H8	126.002	C3	C5	C4	105.546
C3	C5	H9	126.002	C4	C2	H6	127.233
C4	C5	H9	128.451	C5	C3	H7	127.233
C5	C4	H8	128.451

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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