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	hartrees
Energy at 0K	-208.823256
Energy at 298.15K	-208.828059
HF Energy	-208.237019
Nuclear repulsion energy	151.686612

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3357	3107	1.97
2	A₁	3321	3073	2.09
3	A₁	1649	1526	1.61
4	A₁	1533	1419	27.93
5	A₁	1266	1172	3.91
6	A₁	1146	1060	38.83
7	A₁	1088	1007	0.28
8	A₁	919	850	11.83
9	A₂	931	862	0.00
10	A₂	871	806	0.00
11	A₂	526	486	0.00
12	B₁	872	807	0.52
13	B₁	750	694	81.18
14	B₁	577	534	23.47
15	B₂	3546	3281	14122.46
16	B₂	3321	3073	101.30
17	B₂	3273	3029	3479.97
18	B₂	1377	1274	84.20
19	B₂	1335	1235	59.85
20	B₂	1064	984	0.23
21	B₂	916	848	1.07

Atom	y (Å)	z (Å)
N1	0.000	1.239
C2	1.056	0.425
C3	-1.056	0.425
C4	0.676	-0.981
C5	-0.676	-0.981
H6	2.061	0.820
H7	-2.061	0.820
H8	1.347	-1.823
H9	-1.347	-1.823

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3332	1.3332	2.3204	2.3204	2.1029	2.1029	3.3447	3.3447
C2	1.3332		2.1128	1.4569	2.2317	1.0790	3.1420	2.2668	3.2911
C3	1.3332	2.1128		2.2317	1.4569	3.1420	1.0790	3.2911	2.2668
C4	2.3204	1.4569	2.2317		1.3527	2.2714	3.2763	1.0763	2.1916
C5	2.3204	2.2317	1.4569	1.3527		3.2763	2.2714	2.1916	1.0763
H6	2.1029	1.0790	3.1420	2.2714	3.2763		4.1215	2.7371	4.3124
H7	2.1029	3.1420	1.0790	3.2763	2.2714	4.1215		4.3124	2.7371
H8	3.3447	2.2668	3.2911	1.0763	2.1916	2.7371	4.3124		2.6943
H9	3.3447	3.2911	2.2668	2.1916	1.0763	4.3124	2.7371	2.6943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.468	N1	C2	H6	120.971
N1	C3	C5	112.468	N1	C3	H7	120.971
C2	N1	C3	104.820	C2	C4	C5	105.122
C2	C4	H8	126.323	C3	C5	C4	105.122
C3	C5	H9	126.323	C4	C2	H6	126.561
C4	C5	H9	128.555	C5	C3	H7	126.561
C5	C4	H8	128.555

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

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

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