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	hartrees
Energy at 0K	-150.012140
Energy at 298.15K	-150.017504
Nuclear repulsion energy	71.822171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3656	3546	20.47
2	A	3530	3424	13.75
3	A	3472	3368	0.25
4	A	3019	2929	70.08
5	A	1747	1695	240.31
6	A	1598	1550	30.04
7	A	1407	1365	27.72
8	A	1330	1290	20.46
9	A	1113	1080	109.58
10	A	1099	1066	10.54
11	A	1044	1013	1.56
12	A	806	782	24.46
13	A	600	582	207.83
14	A	553	536	18.74
15	A	408	395	117.99

Atom	x (Å)	y (Å)	z (Å)
C1	-0.124	0.394	-0.003
N2	1.142	-0.147	-0.079
N3	-1.173	-0.336	0.018
H4	-0.110	1.502	-0.013
H5	1.895	0.396	0.330
H6	1.185	-1.143	0.125
H7	-2.008	0.257	-0.000

	C1	N2	N3	H4	H5	H6	H7
C1		1.3796	1.2779	1.1072	2.0470	2.0237	1.8888
N2	1.3796		2.3249	2.0711	1.0142	1.0176	3.1773
N3	1.2779	2.3249		2.1229	3.1697	2.4950	1.0246
H4	1.1072	2.0711	2.1229		2.3154	2.9478	2.2699
H5	2.0470	1.0142	3.1697	2.3154		1.7067	3.9200
H6	2.0237	1.0176	2.4950	2.9478	1.7067		3.4894
H7	1.8888	3.1773	1.0246	2.2699	3.9200	3.4894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	116.730	C1	N2	H6	114.327
C1	N3	H7	109.747	N2	C1	N3	122.009
N2	C1	H4	112.318	N3	C1	H4	125.612
H5	N2	H6	114.285

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYP/cc-pVDZ

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	0.041
2	N	-0.092
3	N	-0.205
4	H	-0.009
5	H	0.093
6	H	0.094
7	H	0.077

	x	y	z	Total
	1.668	1.573	0.820	2.434
CHELPG
AIM
ESP

	x	y	z
x	5.513	0.160	0.071
y	0.160	3.780	-0.011
z	0.071	-0.011	1.920

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYP/cc-pVDZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)