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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	-169.657017
Energy at 298.15K
HF Energy	-169.004490
Nuclear repulsion energy	71.112168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3742	3629
2	A'	3599	3491
3	A'	2990	2900
4	A'	1782	1728
5	A'	1620	1571
6	A'	1414	1372
7	A'	1270	1232
8	A'	1049	1017
9	A'	560	543
10	A"	1043	1011
11	A"	626	607
12	A"	91i	88i

Atom	x (Å)	y (Å)
C1	0.000	0.421
O2	1.201	0.229
N3	-0.942	-0.561
H4	-0.442	1.431
H5	-0.651	-1.524
H6	-1.921	-0.339

	C1	O2	N3	H4	H5	H6
C1		1.2164	1.3610	1.1020	2.0515	2.0663
O2	1.2164		2.2840	2.0357	2.5498	3.1734
N3	1.3610	2.2840		2.0538	1.0063	1.0038
H4	1.1020	2.0357	2.0538		2.9625	2.3071
H5	2.0515	2.5498	1.0063	2.9625		1.7371
H6	2.0663	3.1734	1.0038	2.3071	1.7371

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCSD(T)/aug-cc-pVTZ

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	119.369	C1	N3	H6	121.055
O2	C1	N3	124.686	O2	C1	H4	122.745
N3	C1	H4	112.568	H5	N3	H6	119.577

	hartrees
Energy at 0K	-169.657020
Energy at 298.15K
HF Energy	-169.004443
Nuclear repulsion energy	71.105091

Atom	x (Å)	y (Å)	z (Å)
C1	0.161	0.390	0.001
O2	1.197	-0.247	0.003
N3	-1.086	-0.159	-0.022
H4	0.138	1.492	0.001
H5	-1.178	-1.159	0.046
H6	-1.902	0.418	0.075

	C1	O2	N3	H4	H5	H6
C1		1.2162	1.3622	1.1021	2.0483	2.0641
O2	1.2162		2.2843	2.0358	2.5447	3.1699
N3	1.3622	2.2843		2.0553	1.0067	1.0041
H4	1.1021	2.0358	2.0553		2.9604	2.3066
H5	2.0483	2.5447	1.0067	2.9604		1.7353
H6	2.0641	3.1699	1.0041	2.3066	1.7353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.926	C1	N3	H6	120.693
O2	C1	N3	124.628	O2	C1	H4	122.764
N3	C1	H4	112.602	H5	N3	H6	119.302

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCSD(T)/aug-cc-pVTZ

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)