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	hartrees
Energy at 0K	-209.163234
Energy at 298.15K	-209.168058
HF Energy	-208.269605
Nuclear repulsion energy	152.331138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3297	3137	0.22
2	A₁	3258	3100	0.04
3	A₁	1597	1519	21.16
4	A₁	1458	1387	31.33
5	A₁	1274	1212	11.44
6	A₁	1117	1063	43.22
7	A₁	1078	1026	4.99
8	A₁	892	849	11.35
9	A₂	983	935	0.00
10	A₂	905	861	0.00
11	A₂	520	494	0.00
12	B₁	951	904	0.05
13	B₁	752	715	65.49
14	B₁	573	545	25.84
15	B₂	7868	7486	602129.90
16	B₂	3267	3108	67.11
17	B₂	3244	3087	62.20
18	B₂	1330	1265	102.53
19	B₂	1302	1239	38.39
20	B₂	1037	987	0.21
21	B₂	893	849	7.58

Atom	y (Å)	z (Å)
N1	0.000	1.232
C2	1.051	0.419
C3	-1.051	0.419
C4	0.684	-0.971
C5	-0.684	-0.971
H6	2.053	0.813
H7	-2.053	0.813
H8	1.350	-1.813
H9	-1.350	-1.813

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3292	1.3292	2.3069	2.3069	2.0955	2.0955	3.3309	3.3309
C2	1.3292		2.1018	1.4370	2.2225	1.0770	3.1289	2.2511	3.2777
C3	1.3292	2.1018		2.2225	1.4370	3.1289	1.0770	3.2777	2.2511
C4	2.3069	1.4370	2.2225		1.3677	2.2487	3.2669	1.0736	2.2014
C5	2.3069	2.2225	1.4370	1.3677		3.2669	2.2487	2.2014	1.0736
H6	2.0955	1.0770	3.1289	2.2487	3.2669		4.1061	2.7180	4.2984
H7	2.0955	3.1289	1.0770	3.2669	2.2487	4.1061		4.2984	2.7180
H8	3.3309	2.2511	3.2777	1.0736	2.2014	2.7180	4.2984		2.7005
H9	3.3309	3.2777	2.2511	2.2014	1.0736	4.2984	2.7180	2.7005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.958	N1	C2	H6	120.756
N1	C3	C5	112.958	N1	C3	H7	120.756
C2	N1	C3	104.485	C2	C4	C5	104.799
C2	C4	H8	126.832	C3	C5	C4	104.799
C3	C5	H9	126.832	C4	C2	H6	126.286
C4	C5	H9	128.369	C5	C3	H7	126.286
C5	C4	H8	128.369

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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