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	hartrees
Energy at 0K	-208.861562
Energy at 298.15K	-208.866315
HF Energy	-208.213213
Nuclear repulsion energy	150.522639

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3304	3147	0.32
2	A₁	3262	3107	0.57
3	A₁	1595	1519	17.62
4	A₁	1463	1394	26.97
5	A₁	1264	1204	8.13
6	A₁	1112	1059	36.04
7	A₁	1065	1014	7.99
8	A₁	886	844	12.04
9	A₂	925	881	0.00
10	A₂	861	820	0.00
11	A₂	510	486	0.00
12	B₁	910	867	0.02
13	B₁	720	686	54.01
14	B₁	571	544	27.25
15	B₂	121668	115889	0.00
16	B₂	3281	3125	50.52
17	B₂	3254	3100	70.51
18	B₂	1316	1254	111.00
19	B₂	1293	1231	29.88
20	B₂	1026	978	0.62
21	B₂	882	840	5.73

Atom	y (Å)	z (Å)
N1	0.000	1.252
C2	1.057	0.424
C3	-1.057	0.424
C4	0.693	-0.985
C5	-0.693	-0.985
H6	2.076	0.822
H7	-2.076	0.822
H8	1.373	-1.837
H9	-1.373	-1.837

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3422	1.3422	2.3413	2.3413	2.1202	2.1202	3.3803	3.3803
C2	1.3422		2.1138	1.4555	2.2464	1.0941	3.1583	2.2836	3.3194
C3	1.3422	2.1138		2.2464	1.4555	3.1583	1.0941	3.3194	2.2836
C4	2.3413	1.4555	2.2464		1.3851	2.2758	3.3062	1.0906	2.2343
C5	2.3413	2.2464	1.4555	1.3851		3.3062	2.2758	2.2343	1.0906
H6	2.1202	1.0941	3.1583	2.2758	3.3062		4.1524	2.7508	4.3552
H7	2.1202	3.1583	1.0941	3.3062	2.2758	4.1524		4.3552	2.7508
H8	3.3803	2.2836	3.3194	1.0906	2.2343	2.7508	4.3552		2.7456
H9	3.3803	3.3194	2.2836	2.2343	1.0906	4.3552	2.7508	2.7456

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.558	N1	C2	H6	120.631
N1	C3	C5	113.558	N1	C3	H7	120.631
C2	N1	C3	103.891	C2	C4	C5	104.496
C2	C4	H8	126.915	C3	C5	C4	104.496
C3	C5	H9	126.915	C4	C2	H6	125.811
C4	C5	H9	128.589	C5	C3	H7	125.811
C5	C4	H8	128.589

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

using model chemistry: MP2/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: MP2/cc-pVDZ

States and conformations

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