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	hartrees
Energy at 0K	-207.469840
Energy at 298.15K	-207.474514
HF Energy	-207.013927
Nuclear repulsion energy	148.934919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3266	3124	0.46
2	A₁	3237	3096	3.52
3	A₁	1563	1495	0.04
4	A₁	1390	1330	6.75
5	A₁	1219	1166	0.38
6	A₁	1106	1058	25.17
7	A₁	1005	961	19.18
8	A₁	910	870	9.43
9	A₂	873	835	0.00
10	A₂	833	797	0.00
11	A₂	521	499	0.00
12	B₁	837	800	0.02
13	B₁	713	682	89.71
14	B₁	577	552	20.21
15	B₂	10323	9873	0.00
16	B₂	3235	3094	0.62
17	B₂	3228	3088	96.21
18	B₂	1327	1270	227.57
19	B₂	1286	1230	345.51
20	B₂	975	932	28.36
21	B₂	857	820	0.77

Atom	y (Å)	z (Å)
N1	0.000	1.257
C2	1.086	0.436
C3	-1.086	0.436
C4	0.686	-0.999
C5	-0.686	-0.999
H6	2.096	0.826
H7	-2.096	0.826
H8	1.359	-1.847
H9	-1.359	-1.847

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3617	1.3617	2.3583	2.3583	2.1403	2.1403	3.3885	3.3885
C2	1.3617		2.1720	1.4896	2.2798	1.0834	3.2064	2.2987	3.3448
C3	1.3617	2.1720		2.2798	1.4896	3.2064	1.0834	3.3448	2.2987
C4	2.3583	1.4896	2.2798		1.3714	2.3071	3.3276	1.0826	2.2135
C5	2.3583	2.2798	1.4896	1.3714		3.3276	2.3071	2.2135	1.0826
H6	2.1403	1.0834	3.2064	2.3071	3.3276		4.1929	2.7730	4.3688
H7	2.1403	3.2064	1.0834	3.3276	2.3071	4.1929		4.3688	2.7730
H8	3.3885	2.2987	3.3448	1.0826	2.2135	2.7730	4.3688		2.7182
H9	3.3885	3.3448	2.2987	2.2135	1.0826	4.3688	2.7730	2.7182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.519	N1	C2	H6	121.751
N1	C3	C5	111.519	N1	C3	H7	121.751
C2	N1	C3	105.784	C2	C4	C5	105.589
C2	C4	H8	125.945	C3	C5	C4	105.589
C3	C5	H9	125.945	C4	C2	H6	126.730
C4	C5	H9	128.466	C5	C3	H7	126.730
C5	C4	H8	128.466

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

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

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