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	hartrees
Energy at 0K	-208.949017
Energy at 298.15K	-208.953662
HF Energy	-208.222863
Nuclear repulsion energy	149.728085

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3283	3283	1.40
2	A₁	3245	3245	1.13
3	A₁	1578	1578	0.79
4	A₁	1468	1468	22.52
5	A₁	1203	1203	1.83
6	A₁	1096	1096	30.30
7	A₁	1049	1049	0.23
8	A₁	875	875	9.70
9	A₂	872	872	0.00
10	A₂	822	822	0.00
11	A₂	490	490	0.00
12	B₁	814	814	0.00
13	B₁	702	702	72.05
14	B₁	545	545	17.26
15	B₂	3264	3264	0.15
16	B₂	3241	3241	2.62
17	B₂	1879	1879	857.16
18	B₂	1301	1301	27.65
19	B₂	1250	1250	115.99
20	B₂	1026	1026	1.24
21	B₂	856	856	2.64

Atom	y (Å)	z (Å)
N1	0.000	1.256
C2	1.072	0.429
C3	-1.072	0.429
C4	0.686	-0.992
C5	-0.686	-0.992
H6	2.088	0.827
H7	-2.088	0.827
H8	1.365	-1.844
H9	-1.365	-1.844

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3540	1.3540	2.3499	2.3499	2.1318	2.1318	3.3867	3.3867
C2	1.3540		2.1438	1.4720	2.2599	1.0918	3.1853	2.2911	3.3318
C3	1.3540	2.1438		2.2599	1.4720	3.1853	1.0918	3.3318	2.2911
C4	2.3499	1.4720	2.2599		1.3714	2.2971	3.3173	1.0894	2.2204
C5	2.3499	2.2599	1.4720	1.3714		3.3173	2.2971	2.2204	1.0894
H6	2.1318	1.0918	3.1853	2.2971	3.3173		4.1766	2.7674	4.3656
H7	2.1318	3.1853	1.0918	3.3173	2.2971	4.1766		4.3656	2.7674
H8	3.3867	2.2911	3.3318	1.0894	2.2204	2.7674	4.3656		2.7295
H9	3.3867	3.3318	2.2911	2.2204	1.0894	4.3656	2.7674	2.7295

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.449	N1	C2	H6	120.917
N1	C3	C5	112.449	N1	C3	H7	120.917
C2	N1	C3	104.682	C2	C4	C5	105.210
C2	C4	H8	126.234	C3	C5	C4	105.210
C3	C5	H9	126.234	C4	C2	H6	126.635
C4	C5	H9	128.556	C5	C3	H7	126.635
C5	C4	H8	128.556

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

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

States and conformations

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