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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	-169.657976
Energy at 298.15K
HF Energy	-169.004388
Nuclear repulsion energy	71.084083

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3740	3616
2	A'	3597	3477
3	A'	2988	2888
4	A'	1776	1718
5	A'	1619	1565
6	A'	1412	1365
7	A'	1268	1226
8	A'	1047	1012
9	A'	559	540
10	A"	1041	1006
11	A"	626	605
12	A"	90i	87i

Atom	x (Å)	y (Å)
C1	0.000	0.422
O2	1.202	0.228
N3	-0.943	-0.561
H4	-0.442	1.431
H5	-0.652	-1.524
H6	-1.922	-0.339

	C1	O2	N3	H4	H5	H6
C1		1.2172	1.3614	1.1021	2.0519	2.0667
O2	1.2172		2.2849	2.0367	2.5507	3.1746
N3	1.3614	2.2849		2.0541	1.0065	1.0040
H4	1.1021	2.0367	2.0541		2.9630	2.3074
H5	2.0519	2.5507	1.0065	2.9630		1.7374
H6	2.0667	3.1746	1.0040	2.3074	1.7374

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: QCISD(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	121.050
O2	C1	N3	124.683	O2	C1	H4	122.759
N3	C1	H4	112.558	H5	N3	H6	119.581

	hartrees
Energy at 0K	-169.657979
Energy at 298.15K	-169.661522
HF Energy	-169.004344
Nuclear repulsion energy	71.078457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3735	3611
2	A	3593	3474
3	A	2987	2888
4	A	1777	1718
5	A	1620	1566
6	A	1412	1365
7	A	1268	1226
8	A	1052	1017
9	A	1039	1004
10	A	624	604
11	A	559	540
12	A	132	127

Atom	x (Å)	y (Å)	z (Å)
C1	0.161	0.390	0.001
O2	1.198	-0.247	0.003
N3	-1.086	-0.159	-0.021
H4	0.138	1.492	0.001
H5	-1.178	-1.160	0.044
H6	-1.903	0.417	0.070

	C1	O2	N3	H4	H5	H6
C1		1.2170	1.3625	1.1022	2.0489	2.0648
O2	1.2170		2.2851	2.0368	2.5456	3.1714
N3	1.3625	2.2851		2.0556	1.0068	1.0043
H4	1.1022	2.0368	2.0556		2.9610	2.3071
H5	2.0489	2.5456	1.0068	2.9610		1.7360
H6	2.0648	3.1714	1.0043	2.3071	1.7360

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.950	C1	N3	H6	120.728
O2	C1	N3	124.621	O2	C1	H4	122.776
N3	C1	H4	112.596	H5	N3	H6	119.359

All results from a given calculation for CHONH2 (formamide)

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

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)