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	hartrees
Energy at 0K	-149.143866
Energy at 298.15K	-149.149295
Nuclear repulsion energy	73.018198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3927	3558	46.26
2	A	3801	3443	37.72
3	A	3771	3416	12.90
4	A	3221	2918	45.26
5	A	1872	1696	395.62
6	A	1768	1602	31.51
7	A	1541	1396	35.82
8	A	1428	1294	43.82
9	A	1203	1090	53.60
10	A	1188	1077	50.48
11	A	1152	1044	47.47
12	A	880	798	44.98
13	A	601	545	75.55
14	A	572	519	115.94
15	A	393	356	193.28

Atom	x (Å)	y (Å)	z (Å)
C1	-0.127	0.382	-0.003
N2	1.129	-0.143	-0.062
N3	-1.159	-0.327	0.012
H4	-0.138	1.465	-0.006
H5	1.884	0.417	0.251
H6	1.208	-1.118	0.111
H7	-1.986	0.233	0.010

	C1	N2	N3	H4	H5	H6	H7
C1		1.3624	1.2519	1.0828	2.0275	2.0112	1.8650
N2	1.3624		2.2962	2.0480	0.9906	0.9934	3.1382
N3	1.2519	2.2962		2.0618	3.1415	2.4972	0.9987
H4	1.0828	2.0480	2.0618		2.2925	2.9150	2.2207
H5	2.0275	0.9906	3.1415	2.2925		1.6829	3.8820
H6	2.0112	0.9934	2.4972	2.9150	1.6829		3.4691
H7	1.8650	3.1382	0.9987	2.2207	3.8820	3.4691

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	118.138	C1	N2	H6	116.357
C1	N3	H7	111.436	N2	C1	N3	122.824
N2	C1	H4	113.265	N3	C1	H4	123.881
H5	N2	H6	116.039

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: HF/6-311+G(3df,2pd)

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	1.173
2	N	-0.595
3	N	-0.893
4	H	0.049
5	H	0.088
6	H	0.089
7	H	0.089

	x	y	z	Total
	1.868	2.056	0.750	2.877
CHELPG
AIM
ESP

	x	y	z
x	5.709	0.356	-0.038
y	0.356	4.115	-0.008
z	-0.038	-0.008	3.245

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: HF/6-311+G(3df,2pd)

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)