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	hartrees
Energy at 0K	-208.570831
Energy at 298.15K	-208.575330
HF Energy	-208.097459
Nuclear repulsion energy	148.137195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3248	3129	0.96
2	A₁	3225	3107	7.32
3	A₁	1557	1501	0.67
4	A₁	1408	1357	6.16
5	A₁	1181	1138	0.00
6	A₁	1082	1042	22.05
7	A₁	1032	994	8.44
8	A₁	886	854	9.29
9	A₂	827	797	0.00
10	A₂	725	698	0.00
11	A₂	473	456	0.00
12	B₁	748	720	2.37
13	B₁	684	659	80.03
14	B₁	536	517	19.47
15	B₂	3227	3109	12.78
16	B₂	3213	3096	0.17
17	B₂	1569	1512	123.21
18	B₂	1318	1270	27.94
19	B₂	1238	1193	108.97
20	B₂	977	941	4.77
21	B₂	869	837	3.28

Atom	y (Å)	z (Å)
N1	0.000	1.267
C2	1.096	0.432
C3	-1.096	0.432
C4	0.688	-1.001
C5	-0.688	-1.001
H6	2.108	0.832
H7	-2.108	0.832
H8	1.363	-1.854
H9	-1.363	-1.854

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3778	1.3778	2.3695	2.3695	2.1522	2.1522	3.4054	3.4054
C2	1.3778		2.1921	1.4893	2.2879	1.0881	3.2287	2.3014	3.3571
C3	1.3778	2.1921		2.2879	1.4893	3.2287	1.0881	3.3571	2.3014
C4	2.3695	1.4893	2.2879		1.3761	2.3182	3.3429	1.0879	2.2212
C5	2.3695	2.2879	1.4893	1.3761		3.3429	2.3182	2.2212	1.0879
H6	2.1522	1.0881	3.2287	2.3182	3.3429		4.2156	2.7875	4.3885
H7	2.1522	3.2287	1.0881	3.3429	2.3182	4.2156		4.3885	2.7875
H8	3.4054	2.3014	3.3571	1.0879	2.2212	2.7875	4.3885		2.7253
H9	3.4054	3.3571	2.3014	2.2212	1.0879	4.3885	2.7875	2.7253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	111.404	N1	C2	H6	121.118
N1	C3	C5	111.404	N1	C3	H7	121.118
C2	N1	C3	105.398	C2	C4	C5	105.897
C2	C4	H8	125.781	C3	C5	C4	105.897
C3	C5	H9	125.781	C4	C2	H6	127.479
C4	C5	H9	128.322	C5	C3	H7	127.479
C5	C4	H8	128.322

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

using model chemistry: QCISD/6-31G

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/6-31G

States and conformations

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