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	hartrees
Energy at 0K	-94.539369
Energy at 298.15K	-94.542256
HF Energy	-94.539369
Nuclear repulsion energy	32.534732

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'	3411	3392	3.42	110.85	0.48	0.65
2	A'	3195	3178	64.81	390.80	0.31	0.47
3	A'	2801	2785	120.40	128.02	0.50	0.67
4	A'	1643	1634	1.62	37.37	0.41	0.58
5	A'	1397	1389	14.03	10.05	0.57	0.73
6	A'	1344	1336	5.13	1.18	0.54	0.70
7	A'	1038	1033	29.05	17.71	0.47	0.64
8	A"	1133	1127	8.76	1.12	0.75	0.86
9	A"	777	773	128.25	1.78	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.797
N2	0.063	-0.525
H3	-1.021	1.090
H4	-0.749	-1.165
H5	0.954	-1.028

	C1	N2	H3	H4	H5
C1		1.3221	1.1228	2.1230	2.0301
N2	1.3221		1.9455	1.0336	1.0225
H3	1.1228	1.9455		2.2716	2.8955
H4	2.1230	1.0336	2.2716		1.7082
H5	2.0301	1.0225	2.8955	1.7082

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	128.226		C1	N2	H5	119.414
N2	C1	H3	105.162		H4	N2	H5	112.360

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: BLYP/6-31G(2df,p)

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	-0.282
2	N	-0.262
3	H	0.074
4	H	0.219
5	H	0.251

	x	y	z	Total
	-1.008	-3.141	0.000	3.299
CHELPG
AIM
ESP

	x	y	z
x	2.994	-0.186	0.000
y	-0.186	4.048	0.000
z	0.000	0.000	1.735

<r²>	19.914
(<r²>)^1/2	4.462

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)