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	hartrees
Energy at 0K	-94.575309
Energy at 298.15K	-94.578219
HF Energy	-94.575309
Nuclear repulsion energy	32.969031

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'	3555	3555	20.05	92.48	0.66	0.80
2	A'	3398	3398	18.08	392.95	0.25	0.40
3	A'	2929	2929	94.99	170.89	0.49	0.66
4	A'	1684	1684	15.04	19.46	0.59	0.74
5	A'	1450	1450	12.51	9.68	0.19	0.32
6	A'	1381	1381	14.61	14.26	0.11	0.20
7	A'	1071	1071	24.58	13.41	0.24	0.38
8	A"	1155	1155	10.38	0.16	0.75	0.86
9	A"	810	810	143.86	0.40	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.783
N2	0.063	-0.521
H3	-0.999	1.096
H4	-0.758	-1.125
H5	0.943	-1.019

	C1	N2	H3	H4	H5
C1		1.3041	1.1069	2.0766	2.0054
N2	1.3041		1.9347	1.0186	1.0113
H3	1.1069	1.9347		2.2340	2.8714
H4	2.0766	1.0186	2.2340		1.7041
H5	2.0054	1.0113	2.8714	1.7041

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	126.336		C1	N2	H5	119.481
N2	C1	H3	106.441		H4	N2	H5	114.183

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: B3PW91/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	-1.111
2	N	-0.361
3	H	0.646
4	H	0.222
5	H	0.605

	x	y	z	Total
	-1.329	-3.234	0.000	3.497
CHELPG
AIM
ESP

	x	y	z
x	3.824	0.120	0.000
y	0.120	4.849	0.000
z	0.000	0.000	3.000

<r²>	19.914
(<r²>)^1/2	4.463

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: B3PW91/daug-cc-pVTZ

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)