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	hartrees
Energy at 0K	-208.980286
Energy at 298.15K	-208.984258
HF Energy	-208.259547
Nuclear repulsion energy	150.885919

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3296	3149	1.64
2	A₁	3257	3111	1.56
3	A₁	1591	1520	0.78
4	A₁	1472	1407	19.73
5	A₁	1216	1162	2.94
6	A₁	1110	1060	31.75
7	A₁	1055	1008	1.13
8	A₁	892	852	7.88
9	A₂	778	743	0.00
10	A₂	569	543	0.00
11	A₂	165	157	0.00
12	B₁	718	686	5.68
13	B₁	667	637	69.97
14	B₁	531	507	17.61
15	B₂	3276	3130	2.15
16	B₂	3252	3107	11.29
17	B₂	1428	1364	8.83
18	B₂	1321	1262	0.18
19	B₂	1051	1004	13.60
20	B₂	1012	967	9.73
21	B₂	697	665	0.15

Atom	y (Å)	z (Å)
N1	0.000	1.248
C2	1.064	0.426
C3	-1.064	0.426
C4	0.678	-0.985
C5	-0.678	-0.985
H6	2.071	0.819
H7	-2.071	0.819
H8	1.352	-1.828
H9	-1.352	-1.828

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3448	1.3448	2.3340	2.3340	2.1149	2.1149	3.3596	3.3596
C2	1.3448		2.1284	1.4628	2.2422	1.0811	3.1598	2.2718	3.3037
C3	1.3448	2.1284		2.2422	1.4628	3.1598	1.0811	3.3037	2.2718
C4	2.3340	1.4628	2.2422		1.3568	2.2795	3.2888	1.0785	2.1980
C5	2.3340	2.2422	1.4628	1.3568		3.2888	2.2795	2.1980	1.0785
H6	2.1149	1.0811	3.1598	2.2795	3.2888		4.1421	2.7432	4.3270
H7	2.1149	3.1598	1.0811	3.2888	2.2795	4.1421		4.3270	2.7432
H8	3.3596	2.2718	3.3037	1.0785	2.1980	2.7432	4.3270		2.7033
H9	3.3596	3.3037	2.2718	2.1980	1.0785	4.3270	2.7432	2.7033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.399	N1	C2	H6	120.956
N1	C3	C5	112.399	N1	C3	H7	120.956
C2	N1	C3	104.621	C2	C4	C5	105.291
C2	C4	H8	126.084	C3	C5	C4	105.291
C3	C5	H9	126.084	C4	C2	H6	126.645
C4	C5	H9	128.625	C5	C3	H7	126.645
C5	C4	H8	128.625

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

using model chemistry: QCISD/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: QCISD/TZVP

States and conformations

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