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	hartrees
Energy at 0K	-94.480558
Energy at 298.15K	-94.483478
HF Energy	-94.381686
Nuclear repulsion energy	32.761963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3628	3455	32.77	61.58	0.70	0.82
2	A'	3457	3292	3.82	271.12	0.24	0.39
3	A'	2984	2842	111.67	142.91	0.61	0.76
4	A'	1725	1643	15.14	16.85	0.65	0.79
5	A'	1442	1373	25.65	17.94	0.29	0.45
6	A'	1409	1342	32.49	0.53	0.72	0.83
7	A'	1088	1036	22.12	6.03	0.59	0.74
8	A"	1167	1112	11.74	0.85	0.75	0.86
9	A"	822	783	189.98	0.05	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.062	0.792
N2	0.062	-0.526
H3	-1.003	1.089
H4	-0.755	-1.135
H5	0.945	-1.021

	C1	N2	H3	H4	H5
C1		1.3184	1.1056	2.0936	2.0162
N2	1.3184		1.9346	1.0194	1.0119
H3	1.1056	1.9346		2.2379	2.8712
H4	2.0936	1.0194	2.2379		1.7043
H5	2.0162	1.0119	2.8712	1.7043

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.687		C1	N2	H5	119.239
N2	C1	H3	105.568		H4	N2	H5	114.074

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B2PLYP/6-31+G**

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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Number	Element	Mulliken
1	C	-0.172
2	N	-0.508
3	H	0.071
4	H	0.285
5	H	0.323

	x	y	z	Total
	-1.510	-3.391	0.000	3.712
CHELPG
AIM
ESP

	x	y	z
x	3.230	0.024	0.002
y	0.024	4.488	0.001
z	0.002	0.001	2.429

<r²>	20.231
(<r²>)^1/2	4.498

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)