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	hartrees
Energy at 0K	-149.831931
Energy at 298.15K	-149.837231
Nuclear repulsion energy	71.690125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3622	3584	22.33
2	A	3491	3455	13.85
3	A	3433	3398	0.67
4	A	2952	2922	65.03
5	A	1699	1682	220.69
6	A	1568	1552	27.24
7	A	1360	1346	23.17
8	A	1302	1289	20.80
9	A	1083	1072	94.80
10	A	1062	1051	16.83
11	A	1005	994	1.08
12	A	783	775	28.79
13	A	581	575	164.89
14	A	528	523	30.62
15	A	406	402	126.39

Atom	x (Å)	y (Å)	z (Å)
C1	-0.122	0.397	-0.001
N2	1.142	-0.150	-0.075
N3	-1.177	-0.335	0.017
H4	-0.097	1.504	-0.011
H5	1.908	0.396	0.304
H6	1.185	-1.148	0.122
H7	-2.011	0.262	-0.004

	C1	N2	N3	H4	H5	H6	H7
C1		1.3790	1.2843	1.1078	2.0534	2.0272	1.8938
N2	1.3790		2.3283	2.0669	1.0143	1.0181	3.1804
N3	1.2843	2.3283		2.1336	3.1842	2.5007	1.0256
H4	1.1078	2.0669	2.1336		2.3124	2.9483	2.2826
H5	2.0534	1.0143	3.1842	2.3124		1.7139	3.9340
H6	2.0272	1.0181	2.5007	2.9483	1.7139		3.4957
H7	1.8938	3.1804	1.0256	2.2826	3.9340	3.4957

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	117.373	C1	N2	H6	114.665
C1	N3	H7	109.637	N2	C1	N3	121.869
N2	C1	H4	111.979	N3	C1	H4	126.085
H5	N2	H6	114.986

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: PBEPBE/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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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	0.082
2	N	-0.456
3	N	-0.450
4	H	0.090
5	H	0.255
6	H	0.257
7	H	0.222

	x	y	z	Total
	1.808	1.512	0.747	2.473
CHELPG
AIM
ESP

	x	y	z
x	5.778	0.114	0.053
y	0.114	3.911	-0.006
z	0.053	-0.006	2.170

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NHCHNH2 (aminomethanimine)

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

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)