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	hartrees
Energy at 0K	-205.867441
Energy at 298.15K	-205.871914
HF Energy	-205.612866
Nuclear repulsion energy	147.705008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3578	3181	5.53
2	A₁	3534	3141	0.00
3	A₁	1655	1472	0.07
4	A₁	1536	1365	16.03
5	A₁	1242	1104	0.17
6	A₁	1151	1023	6.57
7	A₁	1101	979	1.08
8	A₁	923	820	5.93
9	A₂	975	867	0.00
10	A₂	861	766	0.00
11	A₂	550	489	0.00
12	B₁	841	747	3.91
13	B₁	750	667	17.33
14	B₁	576	512	9.84
15	B₂	3554	3159	21.69
16	B₂	3531	3139	5.93
17	B₂	2242	1993	369.72
18	B₂	1380	1227	9.83
19	B₂	1277	1136	44.67
20	B₂	1012	900	15.45
21	B₂	896	797	5.57

Atom	y (Å)	z (Å)
N1	0.000	1.291
C2	1.082	0.431
C3	-1.082	0.431
C4	0.688	-1.009
C5	-0.688	-1.009
H6	2.116	0.814
H7	-2.116	0.814
H8	1.375	-1.864
H9	-1.375	-1.864

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3820	1.3820	2.4007	2.4007	2.1690	2.1690	3.4414	3.4414
C2	1.3820		2.1634	1.4930	2.2813	1.1027	3.2204	2.3134	3.3617
C3	1.3820	2.1634		2.2813	1.4930	3.2204	1.1027	3.3617	2.3134
C4	2.4007	1.4930	2.2813		1.3753	2.3158	3.3441	1.0967	2.2326
C5	2.4007	2.2813	1.4930	1.3753		3.3441	2.3158	2.2326	1.0967
H6	2.1690	1.1027	3.2204	2.3158	3.3441		4.2317	2.7783	4.3994
H7	2.1690	3.2204	1.1027	3.3441	2.3158	4.2317		4.3994	2.7783
H8	3.4414	2.3134	3.3617	1.0967	2.2326	2.7783	4.3994		2.7498
H9	3.4414	3.3617	2.3134	2.2326	1.0967	4.3994	2.7783	2.7498

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.184	N1	C2	H6	121.195
N1	C3	C5	113.184	N1	C3	H7	121.195
C2	N1	C3	103.025	C2	C4	C5	105.304
C2	C4	H8	125.894	C3	C5	C4	105.304
C3	C5	H9	125.894	C4	C2	H6	125.621
C4	C5	H9	128.802	C5	C3	H7	125.621
C5	C4	H8	128.802

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

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

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