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	hartrees
Energy at 0K	-208.908331
Energy at 298.15K	-208.912847
HF Energy	-208.220607
Nuclear repulsion energy	150.457090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3288	3288
2	A₁	3249	3249
3	A₁	1567	1567
4	A₁	1469	1469
5	A₁	1209	1209
6	A₁	1103	1103
7	A₁	1062	1062
8	A₁	875	875
9	A₂	836	836
10	A₂	773	773
11	A₂	476	476
12	B₁	784	784
13	B₁	695	695
14	B₁	534	534
15	B₂	3268	3268
16	B₂	3247	3247
17	B₂	1404	1404
18	B₂	1322	1322
19	B₂	1273	1273
20	B₂	954	954
21	B₂	765	765

Atom	y (Å)	z (Å)
N1	0.000	1.254
C2	1.065	0.425
C3	-1.065	0.425
C4	0.683	-0.988
C5	-0.683	-0.988
H6	2.075	0.823
H7	-2.075	0.823
H8	1.354	-1.836
H9	-1.354	-1.836

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3491	1.3491	2.3430	2.3430	2.1189	2.1189	3.3739	3.3739
C2	1.3491		2.1297	1.4637	2.2473	1.0852	3.1645	2.2801	3.3117
C3	1.3491	2.1297		2.2473	1.4637	3.1645	1.0852	3.3117	2.2801
C4	2.3430	1.4637	2.2473		1.3654	2.2835	3.2985	1.0824	2.2068
C5	2.3430	2.2473	1.4637	1.3654		3.2985	2.2835	2.2068	1.0824
H6	2.1189	1.0852	3.1645	2.2835	3.2985		4.1492	2.7549	4.3392
H7	2.1189	3.1645	1.0852	3.2985	2.2835	4.1492		4.3392	2.7549
H8	3.3739	2.2801	3.3117	1.0824	2.2068	2.7549	4.3392		2.7086
H9	3.3739	3.3117	2.2801	2.2068	1.0824	4.3392	2.7549	2.7086

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	112.747	N1	C2	H6	120.636
N1	C3	C5	112.747	N1	C3	H7	120.636
C2	N1	C3	104.237	C2	C4	C5	105.134
C2	C4	H8	126.513	C3	C5	C4	105.134
C3	C5	H9	126.513	C4	C2	H6	126.616
C4	C5	H9	128.353	C5	C3	H7	126.616
C5	C4	H8	128.353

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

using model chemistry: ROMP2/6-311G*

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: ROMP2/6-311G*

States and conformations

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