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	hartrees
Energy at 0K	-208.990442
Energy at 298.15K	-208.995147
HF Energy	-208.235307
Nuclear repulsion energy	151.389247

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3294	3120	0.84
2	A₁	3259	3086	0.40
3	A₁	1597	1513	16.24
4	A₁	1460	1382	28.28
5	A₁	1271	1203	12.22
6	A₁	1118	1059	43.27
7	A₁	1084	1027	5.32
8	A₁	896	849	11.70
9	A₂	887	840	0.00
10	A₂	821	777	0.00
11	A₂	496	469	0.00
12	B₁	891	844	0.51
13	B₁	705	668	73.04
14	B₁	565	535	32.00
15	B₂	22516	21325	0.00
16	B₂	3271	3098	69.59
17	B₂	3251	3079	81.65
18	B₂	1327	1257	121.60
19	B₂	1306	1237	33.46
20	B₂	1035	980	0.96
21	B₂	892	845	6.11

Atom	y (Å)	z (Å)
N1	0.000	1.243
C2	1.053	0.422
C3	-1.053	0.422
C4	0.688	-0.979
C5	-0.688	-0.979
H6	2.063	0.820
H7	-2.063	0.820
H8	1.361	-1.826
H9	-1.361	-1.826

	N1	C2	C3	C4	C5	H6	H7	H8	H9
N1		1.3353	1.3353	2.3262	2.3262	2.1053	2.1053	3.3571	3.3571
C2	1.3353		2.1067	1.4484	2.2352	1.0849	3.1412	2.2693	3.2989
C3	1.3353	2.1067		2.2352	1.4484	3.1412	1.0849	3.2989	2.2693
C4	2.3262	1.4484	2.2352		1.3757	2.2648	3.2869	1.0816	2.2167
C5	2.3262	2.2352	1.4484	1.3757		3.2869	2.2648	2.2167	1.0816
H6	2.1053	1.0849	3.1412	2.2648	3.2869		4.1250	2.7382	4.3270
H7	2.1053	3.1412	1.0849	3.2869	2.2648	4.1250		4.3270	2.7382
H8	3.3571	2.2693	3.2989	1.0816	2.2167	2.7382	4.3270		2.7214
H9	3.3571	3.2989	2.2693	2.2167	1.0816	4.3270	2.7382	2.7214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	C2	C4	113.306	N1	C2	H6	120.540
N1	C3	C5	113.306	N1	C3	H7	120.540
C2	N1	C3	104.157	C2	C4	C5	104.616
C2	C4	H8	126.917	C3	C5	C4	104.616
C3	C5	H9	126.917	C4	C2	H6	126.154
C4	C5	H9	128.467	C5	C3	H7	126.154
C5	C4	H8	128.467

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G*

States and conformations

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