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	hartrees
Energy at 0K	-27.804817
Energy at 298.15K	-27.810058
Nuclear repulsion energy	40.443600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3775	3656	29.84
2	A'	3614	3500	31.36
3	A'	3485	3375	7.80
4	A'	3054	2957	82.55
5	A'	1695	1642	333.01
6	A'	1624	1573	15.46
7	A'	1370	1327	60.21
8	A'	1321	1279	29.79
9	A'	1095	1060	152.41
10	A'	1048	1015	18.15
11	A'	520	504	24.95
12	A"	1044	1011	1.65
13	A"	792	767	70.70
14	A"	579	561	266.65
15	A"	353	342	196.31

Atom	x (Å)	y (Å)
C1	0.000	0.427
N2	-1.062	-0.473
N3	1.245	0.014
H4	-0.327	1.484
H5	-2.024	-0.159
H6	-0.853	-1.467
H7	1.922	0.792

	C1	N2	N3	H4	H5	H6	H7
C1		1.3915	1.3117	1.1064	2.1075	2.0775	1.9560
N2	1.3915		2.3571	2.0897	1.0127	1.0162	3.2400
N3	1.3117	2.3571		2.1526	3.2738	2.5680	1.0311
H4	1.1064	2.0897	2.1526		2.3618	2.9976	2.3533
H5	2.1075	1.0127	3.2738	2.3618		1.7561	4.0590
H6	2.0775	1.0162	2.5680	2.9976	1.7561		3.5779
H7	1.9560	3.2400	1.0311	2.3533	4.0590	3.5779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	121.668	C1	N2	H6	118.447
C1	N3	H7	112.661	N2	C1	N3	121.348
N2	C1	H4	113.067	N3	C1	H4	125.585
H5	N2	H6	119.884

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYP/CEP-31G

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	-0.484
2	N	-0.366
3	N	-0.128
4	H	0.188
5	H	0.285
6	H	0.308
7	H	0.197

	x	y	z	Total
	-2.739	1.546	0.000	3.145
CHELPG
AIM
ESP

	x	y	z
x	5.694	0.330	0.000
y	0.330	3.546	0.000
z	0.000	0.000	1.812

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYP/CEP-31G

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)