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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	-169.598633
Energy at 298.15K
HF Energy	-168.995618
Nuclear repulsion energy	71.100393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3755	3590
2	A'	3612	3453
3	A'	2997	2865
4	A'	1797	1717
5	A'	1632	1560
6	A'	1445	1382
7	A'	1272	1216
8	A'	1055	1009
9	A'	570	545
10	A"	1025	980
11	A"	612	585
12	A"	354i	338i

Atom	x (Å)	y (Å)
C1	0.000	0.421
O2	1.200	0.232
N3	-0.941	-0.563
H4	-0.447	1.429
H5	-0.645	-1.526
H6	-1.922	-0.346

	C1	O2	N3	H4	H5	H6
C1		1.2153	1.3622	1.1027	2.0517	2.0700
O2	1.2153		2.2847	2.0365	2.5493	3.1760
N3	1.3622	2.2847		2.0531	1.0074	1.0050
H4	1.1027	2.0365	2.0531		2.9623	2.3086
H5	2.0517	2.5493	1.0074	2.9623		1.7389
H6	2.0700	3.1760	1.0050	2.3086	1.7389

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCSD(T)=FULL/TZVP

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	119.207	C1	N3	H6	121.229
O2	C1	N3	124.754	O2	C1	H4	122.867
N3	C1	H4	112.378	H5	N3	H6	119.564

	hartrees
Energy at 0K	-169.599011
Energy at 298.15K	-169.602930
HF Energy	-168.995128
Nuclear repulsion energy	71.041665

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3724	3561
2	A	3591	3433
3	A	3000	2868
4	A	1800	1721
5	A	1634	1562
6	A	1449	1386
7	A	1275	1219
8	A	1076	1028
9	A	1031	985
10	A	613	586
11	A	568	543
12	A	425	406

Atom	x (Å)	y (Å)	z (Å)
C1	0.162	0.390	0.003
O2	1.196	-0.247	0.008
N3	-1.091	-0.159	-0.057
H4	0.140	1.492	-0.001
H5	-1.161	-1.150	0.118
H6	-1.879	0.411	0.203

	C1	O2	N3	H4	H5	H6
C1		1.2142	1.3697	1.1025	2.0339	2.0515
O2	1.2142		2.2895	2.0346	2.5260	3.1508
N3	1.3697	2.2895		2.0607	1.0092	1.0071
H4	1.1025	2.0346	2.0607		2.9480	2.2997
H5	2.0339	2.5260	1.0092	2.9480		1.7212
H6	2.0515	3.1508	1.0071	2.2997	1.7212

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.691	C1	N3	H6	118.542
O2	C1	N3	124.661	O2	C1	H4	122.800
N3	C1	H4	112.483	H5	N3	H6	117.220

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCSD(T)=FULL/TZVP

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)