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State	Conformation	minimum conformation	conformer description	state description
1	1	no	Planar	¹A^'
1	2	yes	Non-Planar	¹A

	hartrees
Energy at 0K	-169.757300
Energy at 298.15K
HF Energy	-169.015331
Nuclear repulsion energy	71.467746

	hartrees
Energy at 0K	-169.786841
Energy at 298.15K
HF Energy	-169.015329
Nuclear repulsion energy	71.466622

Atom	x (Å)	y (Å)	z (Å)
C1	-0.160	0.387	0.000
O2	-1.192	-0.245	0.000
N3	1.079	-0.158	-0.001
H4	-0.135	1.486	0.001
H5	1.176	-1.156	0.004
H6	1.897	0.416	0.004

	C1	O2	N3	H4	H5	H6
C1		1.2096	1.3542	1.0989	2.0408	2.0577
O2	1.2096		2.2726	2.0275	2.5365	3.1589
N3	1.3542	2.2726		2.0439	1.0022	0.9995
H4	1.0989	2.0275	2.0439		2.9488	2.2967
H5	2.0408	2.5365	1.0022	2.9488		1.7297
H6	2.0577	3.1589	0.9995	2.2967	1.7297

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCSD(T)=FULL/cc-pVQZ

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

	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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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.255	C1	N3	H6	121.177
O2	C1	N3	124.764	O2	C1	H4	122.798
N3	C1	H4	112.438	H5	N3	H6	119.564

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCSD(T)=FULL/cc-pVQZ

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)