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

	hartrees
Energy at 0K	-169.690991
Energy at 298.15K	-169.694478
HF Energy	-169.001183
Nuclear repulsion energy	71.222043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3765	3625
2	A'	3626	3491
3	A'	2986	2875
4	A'	1788	1721
5	A'	1629	1569
6	A'	1428	1375
7	A'	1281	1233
8	A'	1047	1009
9	A'	562	541
10	A"	1059	1020
11	A"	646	622
12	A"	90	86

Atom	x (Å)	y (Å)
C1	0.000	0.418
O2	1.201	0.229
N3	-0.942	-0.559
H4	-0.447	1.422
H5	-0.652	-1.520
H6	-1.918	-0.336

	C1	O2	N3	H4	H5	H6
C1		1.2162	1.3571	1.0986	2.0448	2.0612
O2	1.2162		2.2835	2.0347	2.5483	3.1702
N3	1.3571	2.2835		2.0413	1.0037	1.0010
H4	1.0986	2.0347	2.0413		2.9486	2.2924
H5	2.0448	2.5483	1.0037	2.9486		1.7326
H6	2.0612	3.1702	1.0010	2.2924	1.7326

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP4=FULL/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	119.272	C1	N3	H6	121.134
O2	C1	N3	125.002	O2	C1	H4	122.968
N3	C1	H4	112.029	H5	N3	H6	119.595

	hartrees
Energy at 0K	-169.690990
Energy at 298.15K	-169.694487
HF Energy	-169.001194
Nuclear repulsion energy	71.222124

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3766	3626
2	A	3628	3493
3	A	2985	2875
4	A	1788	1721
5	A	1630	1570
6	A	1428	1375
7	A	1280	1233
8	A	1059	1020
9	A	1047	1008
10	A	644	620
11	A	560	539
12	A	96	93

Atom	x (Å)	y (Å)	z (Å)
C1	0.159	0.387	0.000
O2	1.199	-0.244	0.001
N3	-1.083	-0.159	-0.005
H4	0.127	1.485	0.001
H5	-1.181	-1.158	0.012
H6	-1.902	0.416	0.018

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.325	C1	N3	H6	121.164
O2	C1	N3	125.009	O2	C1	H4	122.943
N3	C1	H4	112.047	H5	N3	H6	119.443

	C1	O2	N3	H4	H5	H6
C1		1.2162	1.3571	1.0986	2.0452	2.0614
O2	1.2162		2.2835	2.0345	2.5493	3.1703
N3	1.3571	2.2835		2.0415	1.0035	1.0009
H4	1.0986	2.0345	2.0415		2.9488	2.2933
H5	2.0452	2.5493	1.0035	2.9488		1.7310
H6	2.0614	3.1703	1.0009	2.2933	1.7310

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP4=FULL/cc-pVTZ

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)