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	hartrees
Energy at 0K	-94.566608
Energy at 298.15K	-94.569525
HF Energy	-94.566608
Nuclear repulsion energy	32.978358

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'	3589	3589	30.85	76.92	0.66	0.80
2	A'	3451	3451	1.08	263.03	0.20	0.34
3	A'	2969	2969	84.64	148.79	0.43	0.60
4	A'	1689	1689	25.54	12.45	0.64	0.78
5	A'	1456	1456	18.94	11.72	0.18	0.30
6	A'	1394	1394	15.11	7.58	0.06	0.12
7	A'	1077	1077	20.39	7.38	0.23	0.38
8	A"	1160	1160	11.04	0.11	0.75	0.86
9	A"	824	824	149.36	0.23	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.784
N2	0.063	-0.522
H3	-0.998	1.090
H4	-0.759	-1.120
H5	0.942	-1.019

	C1	N2	H3	H4	H5
C1		1.3054	1.1039	2.0731	2.0062
N2	1.3054		1.9295	1.0164	1.0107
H3	1.1039	1.9295		2.2224	2.8661
H4	2.0731	1.0164	2.2224		1.7048
H5	2.0062	1.0107	2.8661	1.7048

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.017		C1	N2	H5	119.492
N2	C1	H3	106.120		H4	N2	H5	114.491

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: M06-2X/daug-cc-pVTZ

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-1.397
2	N	-0.647
3	H	0.842
4	H	0.463
5	H	0.739

	x	y	z	Total
	-1.341	-3.199	0.000	3.469
CHELPG
AIM
ESP

	x	y	z
x	3.698	0.038	0.000
y	0.038	4.661	0.000
z	0.000	0.000	2.947

<r²>	19.939
(<r²>)^1/2	4.465

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: M06-2X/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)