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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	-169.467374
Energy at 298.15K
HF Energy	-168.945607
Nuclear repulsion energy	70.552764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3761	3636
2	A'	3605	3486
3	A'	2948	2851
4	A'	1806	1747
5	A'	1599	1546
6	A'	1410	1363
7	A'	1274	1232
8	A'	1042	1007
9	A'	557	539
10	A"	1039	1005
11	A"	643	622
12	A"	281i	272i

Atom	x (Å)	y (Å)
C1	0.000	0.421
O2	1.210	0.239
N3	-0.947	-0.570
H4	-0.473	1.438
H5	-0.646	-1.540
H6	-1.936	-0.353

	C1	O2	N3	H4	H5	H6
C1		1.2239	1.3704	1.1216	2.0646	2.0851
O2	1.2239		2.3039	2.0667	2.5715	3.2017
N3	1.3704	2.3039		2.0627	1.0154	1.0126
H4	1.1216	2.0667	2.0627		2.9827	2.3127
H5	2.0646	2.5715	1.0154	2.9827		1.7522
H6	2.0851	3.2017	1.0126	2.3127	1.7522

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP4/cc-pVDZ

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	119.098	C1	N3	H6	121.366
O2	C1	N3	125.160	O2	C1	H4	123.498
N3	C1	H4	111.342	H5	N3	H6	119.537

	hartrees
Energy at 0K	-169.467727
Energy at 298.15K	-169.471585
HF Energy	-168.945448
Nuclear repulsion energy	70.473927

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3717	3594
2	A	3576	3457
3	A	2953	2855
4	A	1805	1745
5	A	1607	1553
6	A	1410	1364
7	A	1274	1231
8	A	1068	1033
9	A	1024	990
10	A	623	602
11	A	556	538
12	A	371	358

Atom	x (Å)	y (Å)	z (Å)
C1	0.163	0.390	0.002
O2	1.207	-0.247	0.010
N3	-1.101	-0.161	-0.066
H4	0.122	1.510	-0.001
H5	-1.162	-1.157	0.133
H6	-1.886	0.407	0.239

	C1	O2	N3	H4	H5	H6
C1		1.2229	1.3797	1.1212	2.0413	2.0619
O2	1.2229		2.3102	2.0649	2.5412	3.1690
N3	1.3797	2.3102		2.0716	1.0183	1.0158
H4	1.1212	2.0649	2.0716		2.9639	2.3031
H5	2.0413	2.5412	1.0183	2.9639		1.7270
H6	2.0619	3.1690	1.0158	2.3031	1.7270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	115.883	C1	N3	H6	118.004
O2	C1	N3	125.055	O2	C1	H4	123.445
N3	C1	H4	111.438	H5	N3	H6	116.213

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP4/cc-pVDZ

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)