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	hartrees
Energy at 0K	-208.978184
Energy at 298.15K	-208.982237
HF Energy	-208.259648
Nuclear repulsion energy	150.967927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3299	3148	1.50
2	A₁	3259	3110	1.45
3	A₁	1595	1523	0.82
4	A₁	1477	1410	20.36
5	A₁	1221	1165	3.06
6	A₁	1113	1062	31.79
7	A₁	1057	1009	1.02
8	A₁	894	853	7.89
9	A₂	782	746	0.00
10	A₂	575	549	0.00
11	A₂	161	154	0.00
12	B₁	721	689	5.87
13	B₁	668	637	70.03
14	B₁	532	508	17.63
15	B₂	3278	3129	1.09
16	B₂	3254	3106	8.08
17	B₂	1524	1455	48.51
18	B₂	1325	1265	4.34
19	B₂	1181	1127	146.32
20	B₂	1032	985	1.24
21	B₂	840	802	6.11

Atom	y (Å)	z (Å)
N1	0.000	1.247
C2	1.063	0.426
C3	-1.063	0.426
C4	0.678	-0.985
C5	-0.678	-0.985
H6	2.070	0.819
H7	-2.070	0.819
H8	1.351	-1.827
H9	-1.351	-1.827

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3436	1.3436	2.3326	2.3326	2.1139	2.1139	3.3580	3.3580
C2	1.3436		2.1267	1.4623	2.2411	1.0809	3.1581	2.2712	3.3025
C3	1.3436	2.1267		2.2411	1.4623	3.1581	1.0809	3.3025	2.2712
C4	2.3326	1.4623	2.2411		1.3563	2.2787	3.2875	1.0783	2.1974
C5	2.3326	2.2411	1.4623	1.3563		3.2875	2.2787	2.1974	1.0783
H6	2.1139	1.0809	3.1581	2.2787	3.2875		4.1403	2.7422	4.3255
H7	2.1139	3.1581	1.0809	3.2875	2.2787	4.1403		4.3255	2.7422
H8	3.3580	2.2712	3.3025	1.0783	2.1974	2.7422	4.3255		2.7029
H9	3.3580	3.3025	2.2712	2.1974	1.0783	4.3255	2.7422	2.7029

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.404	N1	C2	H6	120.973
N1	C3	C5	112.404	N1	C3	H7	120.973
C2	N1	C3	104.642	C2	C4	C5	105.275
C2	C4	H8	126.084	C3	C5	C4	105.275
C3	C5	H9	126.084	C4	C2	H6	126.623
C4	C5	H9	128.641	C5	C3	H7	126.623
C5	C4	H8	128.641

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

using model chemistry: CCSD/TZVP

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: CCSD/TZVP

States and conformations

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