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	hartrees
Energy at 0K	-149.644150
Energy at 298.15K	-149.649532
HF Energy	-149.098370
Nuclear repulsion energy	72.100330

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3765	3556	39.71
2	A	3630	3428	34.17
3	A	3582	3383	5.87
4	A	3128	2955	42.10
5	A	1749	1652	205.60
6	A	1632	1541	27.82
7	A	1415	1336	20.13
8	A	1352	1277	25.80
9	A	1119	1057	112.72
10	A	1107	1045	2.65
11	A	1062	1004	1.73
12	A	830	784	28.17
13	A	602	569	236.98
14	A	548	517	17.72
15	A	419	395	129.97

Atom	x (Å)	y (Å)	z (Å)
C1	-0.122	0.397	-0.002
N2	1.138	-0.148	-0.078
N3	-1.170	-0.336	0.017
H4	-0.112	1.491	-0.012
H5	1.888	0.387	0.325
H6	1.171	-1.135	0.128
H7	-1.994	0.258	0.001

	C1	N2	N3	H4	H5	H6	H7
C1		1.3749	1.2791	1.0938	2.0362	2.0087	1.8778
N2	1.3749		2.3179	2.0622	1.0055	1.0090	3.1599
N3	1.2791	2.3179		2.1109	3.1575	2.4760	1.0162
H4	1.0938	2.0622	2.1109		2.3089	2.9257	2.2500
H5	2.0362	1.0055	3.1575	2.3089		1.6945	3.8981
H6	2.0087	1.0090	2.4760	2.9257	1.6945		3.4606
H7	1.8778	3.1599	1.0162	2.2500	3.8981	3.4606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	116.753	C1	N2	H6	113.946
C1	N3	H7	109.259	N2	C1	N3	121.662
N2	C1	H4	112.803	N3	C1	H4	125.465
H5	N2	H6	114.519

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: MP2/6-31G(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	0.159
2	N	-0.611
3	N	-0.532
4	H	0.133
5	H	0.292
6	H	0.303
7	H	0.256

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	44.433
(<r²>)^1/2	6.666

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)