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	hartrees
Energy at 0K	-207.484191
Energy at 298.15K	-207.488757
HF Energy	-207.012902
Nuclear repulsion energy	148.084658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3253	3153	0.35
2	A₁	3224	3125	6.19
3	A₁	1539	1492	0.82
4	A₁	1369	1327	2.88
5	A₁	1182	1145	0.49
6	A₁	1066	1033	12.37
7	A₁	984	954	18.56
8	A₁	884	856	8.41
9	A₂	878	851	0.00
10	A₂	763	739	0.00
11	A₂	492	477	0.00
12	B₁	784	760	2.71
13	B₁	702	681	86.51
14	B₁	547	530	18.43
15	B₂	3230	3131	0.01
16	B₂	3216	3117	1.00
17	B₂	2181	2114	1329.38
18	B₂	1321	1280	37.87
19	B₂	1268	1229	73.22
20	B₂	959	929	6.50
21	B₂	834	809	10.54

Atom	y (Å)	z (Å)
N1	0.000	1.270
C2	1.096	0.435
C3	-1.096	0.435
C4	0.684	-1.005
C5	-0.684	-1.005
H6	2.107	0.825
H7	-2.107	0.825
H8	1.356	-1.854
H9	-1.356	-1.854

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3778	1.3778	2.3755	2.3755	2.1540	2.1540	3.4062	3.4062
C2	1.3778		2.1917	1.4974	2.2894	1.0839	3.2268	2.3042	3.3546
C3	1.3778	2.1917		2.2894	1.4974	3.2268	1.0839	3.3546	2.3042
C4	2.3755	1.4974	2.2894		1.3685	2.3175	3.3375	1.0833	2.2101
C5	2.3755	2.2894	1.4974	1.3685		3.3375	2.3175	2.2101	1.0833
H6	2.1540	1.0839	3.2268	2.3175	3.3375		4.2148	2.7823	4.3786
H7	2.1540	3.2268	1.0839	3.3375	2.3175	4.2148		4.3786	2.7823
H8	3.4062	2.3042	3.3546	1.0833	2.2101	2.7823	4.3786		2.7120
H9	3.4062	3.3546	2.3042	2.2101	1.0833	4.3786	2.7823	2.7120

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.356	N1	C2	H6	121.633
N1	C3	C5	111.356	N1	C3	H7	121.633
C2	N1	C3	105.376	C2	C4	C5	105.956
C2	C4	H8	125.717	C3	C5	C4	105.956
C3	C5	H9	125.717	C4	C2	H6	127.011
C4	C5	H9	128.327	C5	C3	H7	127.011
C5	C4	H8	128.327

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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