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	hartrees
Energy at 0K	-208.872950
Energy at 298.15K	-208.877530
HF Energy	-208.198425
Nuclear repulsion energy	149.705673

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3301	3301
2	A₁	3257	3257
3	A₁	1570	1570
4	A₁	1474	1474
5	A₁	1201	1201
6	A₁	1097	1097
7	A₁	1048	1048
8	A₁	866	866
9	A₂	884	884
10	A₂	814	814
11	A₂	490	490
12	B₁	812	812
13	B₁	710	710
14	B₁	542	542
15	B₂	3279	3279
16	B₂	3256	3256
17	B₂	1402	1402
18	B₂	1319	1319
19	B₂	1265	1265
20	B₂	946	946
21	B₂	764	764

Atom	y (Å)	z (Å)
N1	0.000	1.261
C2	1.068	0.427
C3	-1.068	0.427
C4	0.687	-0.992
C5	-0.687	-0.992
H6	2.088	0.824
H7	-2.088	0.824
H8	1.364	-1.847
H9	-1.364	-1.847

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3554	1.3554	2.3556	2.3556	2.1328	2.1328	3.3945	3.3945
C2	1.3554		2.1365	1.4694	2.2569	1.0939	3.1807	2.2932	3.3300
C3	1.3554	2.1365		2.2569	1.4694	3.1807	1.0939	3.3300	2.2932
C4	2.3556	1.4694	2.2569		1.3735	2.2935	3.3158	1.0910	2.2222
C5	2.3556	2.2569	1.4694	1.3735		3.3158	2.2935	2.2222	1.0910
H6	2.1328	1.0939	3.1807	2.2935	3.3158		4.1751	2.7671	4.3647
H7	2.1328	3.1807	1.0939	3.3158	2.2935	4.1751		4.3647	2.7671
H8	3.3945	2.2932	3.3300	1.0910	2.2222	2.7671	4.3647		2.7289
H9	3.3945	3.3300	2.2932	2.2222	1.0910	4.3647	2.7671	2.7289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.937	N1	C2	H6	120.733
N1	C3	C5	112.937	N1	C3	H7	120.733
C2	N1	C3	104.027	C2	C4	C5	105.049
C2	C4	H8	126.547	C3	C5	C4	105.049
C3	C5	H9	126.547	C4	C2	H6	126.330
C4	C5	H9	128.403	C5	C3	H7	126.330
C5	C4	H8	128.403

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

using model chemistry: ROMP2/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: ROMP2/cc-pVDZ

States and conformations

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