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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	-169.549356
Energy at 298.15K
HF Energy	-168.994760
Nuclear repulsion energy	70.884899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3753	3614
2	A'	3607	3473
3	A'	2985	2874
4	A'	1760	1695
5	A'	1625	1565
6	A'	1430	1377
7	A'	1265	1218
8	A'	1044	1005
9	A'	564	543
10	A"	1015	977
11	A"	616	593
12	A"	357i	344i

Atom	x (Å)	y (Å)
C1	0.000	0.422
O2	1.206	0.229
N3	-0.946	-0.561
H4	-0.447	1.432
H5	-0.654	-1.526
H6	-1.927	-0.340

	C1	O2	N3	H4	H5	H6
C1		1.2217	1.3643	1.1045	2.0546	2.0726
O2	1.2217		2.2927	2.0450	2.5569	3.1849
N3	1.3643	2.2927		2.0545	1.0081	1.0058
H4	1.1045	2.0450	2.0545		2.9650	2.3090
H5	2.0546	2.5569	1.0081	2.9650		1.7400
H6	2.0726	3.1849	1.0058	2.3090	1.7400

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP4/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	119.239	C1	N3	H6	121.219
O2	C1	N3	124.795	O2	C1	H4	122.987
N3	C1	H4	112.218	H5	N3	H6	119.542

	hartrees
Energy at 0K	-169.549744
Energy at 298.15K	-169.553663
HF Energy	-168.994242
Nuclear repulsion energy	70.825238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3722	3584
2	A	3585	3452
3	A	2988	2877
4	A	1762	1696
5	A	1628	1567
6	A	1434	1381
7	A	1268	1221
8	A	1066	1026
9	A	1020	982
10	A	615	592
11	A	563	542
12	A	432	416

Atom	x (Å)	y (Å)	z (Å)
C1	0.161	0.391	0.003
O2	1.201	-0.247	0.008
N3	-1.094	-0.160	-0.058
H4	0.134	1.495	-0.001
H5	-1.162	-1.152	0.120
H6	-1.883	0.409	0.205

	C1	O2	N3	H4	H5	H6
C1		1.2207	1.3720	1.1043	2.0361	2.0534
O2	1.2207		2.2977	2.0431	2.5332	3.1591
N3	1.3720	2.2977		2.0621	1.0100	1.0080
H4	1.1043	2.0431	2.0621		2.9501	2.2996
H5	2.0361	2.5332	1.0100	2.9501		1.7219
H6	2.0534	3.1591	1.0080	2.2996	1.7219

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.658	C1	N3	H6	118.458
O2	C1	N3	124.707	O2	C1	H4	122.915
N3	C1	H4	112.317	H5	N3	H6	117.146

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP4/TZVP

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)