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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	-169.428028
Energy at 298.15K
HF Energy	-168.927109
Nuclear repulsion energy	70.622253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3735	3566
2	A'	3597	3434
3	A'	2983	2848
4	A'	1801	1720
5	A'	1642	1567
6	A'	1430	1365
7	A'	1293	1235
8	A'	1060	1012
9	A'	559	534
10	A"	1035	988
11	A"	648	619
12	A"	200i	191i

Atom	x (Å)	y (Å)
C1	0.000	0.423
O2	1.212	0.223
N3	-0.951	-0.557
H4	-0.444	1.440
H5	-0.658	-1.526
H6	-1.939	-0.340

	C1	O2	N3	H4	H5	H6
C1		1.2288	1.3656	1.1099	2.0578	2.0835
O2	1.2288		2.2996	2.0557	2.5611	3.2009
N3	1.3656	2.2996		2.0603	1.0131	1.0111
H4	1.1099	2.0557	2.0603		2.9745	2.3244
H5	2.0578	2.5611	1.0131	2.9745		1.7458
H6	2.0835	3.2009	1.0111	2.3244	1.7458

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP4/6-31G*

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	119.040	C1	N3	H6	121.769
O2	C1	N3	124.768	O2	C1	H4	122.970
N3	C1	H4	112.262	H5	N3	H6	119.190

	hartrees
Energy at 0K	-169.428114
Energy at 298.15K	-169.431867
HF Energy	-168.926942
Nuclear repulsion energy	70.584713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3717	3549
2	A	3583	3421
3	A	2986	2851
4	A	1800	1719
5	A	1647	1573
6	A	1431	1366
7	A	1292	1234
8	A	1073	1025
9	A	1030	983
10	A	636	607
11	A	558	533
12	A	282	270

Atom	x (Å)	y (Å)	z (Å)
C1	0.158	0.394	0.002
O2	1.206	-0.247	0.007
N3	-1.094	-0.161	-0.045
H4	0.129	1.503	-0.001
H5	-1.166	-1.163	0.091
H6	-1.909	0.403	0.161

	C1	O2	N3	H4	H5	H6
C1		1.2283	1.3702	1.1097	2.0460	2.0736
O2	1.2283		2.3022	2.0551	2.5446	3.1862
N3	1.3702	2.3022		2.0652	1.0142	1.0123
H4	1.1097	2.0551	2.0652		2.9655	2.3218
H5	2.0460	2.5446	1.0142	2.9655		1.7345
H6	2.0736	3.1862	1.0123	2.3218	1.7345

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.421	C1	N3	H6	120.255
O2	C1	N3	124.655	O2	C1	H4	122.963
N3	C1	H4	112.347	H5	N3	H6	117.723

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP4/6-31G*

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)