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	hartrees
Energy at 0K	-209.161078
Energy at 298.15K	-209.165926
HF Energy	-208.268160
Nuclear repulsion energy	152.279326

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3337	3112	0.50
2	A₁	3289	3067	0.41
3	A₁	1624	1514	7.87
4	A₁	1504	1403	26.42
5	A₁	1270	1184	6.16
6	A₁	1129	1053	39.67
7	A₁	1087	1014	0.16
8	A₁	912	851	12.43
9	A₂	961	897	0.00
10	A₂	910	849	0.00
11	A₂	532	496	0.00
12	B₁	927	865	0.04
13	B₁	758	707	67.43
14	B₁	581	542	22.50
15	B₂	4658	4344	63323.29
16	B₂	3305	3082	108.01
17	B₂	3278	3057	186.12
18	B₂	1355	1263	108.21
19	B₂	1323	1234	55.29
20	B₂	1046	975	0.18
21	B₂	904	843	3.01

Atom	y (Å)	z (Å)
N1	0.000	1.235
C2	1.051	0.422
C3	-1.051	0.422
C4	0.678	-0.976
C5	-0.678	-0.976
H6	2.052	0.810
H7	-2.052	0.810
H8	1.346	-1.811
H9	-1.346	-1.811

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3287	1.3287	2.3123	2.3123	2.0951	2.0951	3.3300	3.3300
C2	1.3287		2.1026	1.4469	2.2239	1.0729	3.1271	2.2525	3.2765
C3	1.3287	2.1026		2.2239	1.4469	3.1271	1.0729	3.2765	2.2525
C4	2.3123	1.4469	2.2239		1.3566	2.2528	3.2622	1.0695	2.1902
C5	2.3123	2.2239	1.4469	1.3566		3.2622	2.2528	2.1902	1.0695
H6	2.0951	1.0729	3.1271	2.2528	3.2622		4.1033	2.7142	4.2914
H7	2.0951	3.1271	1.0729	3.2622	2.2528	4.1033		4.2914	2.7142
H8	3.3300	2.2525	3.2765	1.0695	2.1902	2.7142	4.2914		2.6928
H9	3.3300	3.2765	2.2525	2.1902	1.0695	4.2914	2.7142	2.6928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.763	N1	C2	H6	121.104
N1	C3	C5	112.763	N1	C3	H7	121.104
C2	N1	C3	104.595	C2	C4	C5	104.940
C2	C4	H8	126.400	C3	C5	C4	104.940
C3	C5	H9	126.400	C4	C2	H6	126.133
C4	C5	H9	128.661	C5	C3	H7	126.133
C5	C4	H8	128.661

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

using model chemistry: MP3=FULL/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: MP3=FULL/cc-pVTZ

States and conformations

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