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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	CS	¹A^'
1	2	no	C1	¹A

	hartrees
Energy at 0K	-244.821972
Energy at 298.15K
HF Energy	-243.928102
Nuclear repulsion energy	123.497522

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3804	3689
2	A'	3779	3665
3	A'	3639	3530
4	A'	1827	1772
5	A'	1623	1574
6	A'	1437	1394
7	A'	1239	1202
8	A'	1080	1048
9	A'	959	930
10	A'	586	568
11	A'	487	472
12	A"	784	760
13	A"	591	573
14	A"	481	467
15	A"	258i	251i

Atom	x (Å)	y (Å)
C1	0.000	0.130
O2	-0.065	1.341
N3	1.140	-0.605
O4	-1.091	-0.683
H5	2.018	-0.122
H6	1.106	-1.607
H7	-1.851	-0.086

	C1	O2	N3	O4	H5	H6	H7
C1		1.2128	1.3565	1.3610	2.0334	2.0595	1.8635
O2	1.2128		2.2891	2.2695	2.5452	3.1724	2.2861
N3	1.3565	2.2891		2.2326	1.0022	1.0026	3.0354
O4	1.3610	2.2695	2.2326		3.1594	2.3837	0.9660
H5	2.0334	2.5452	1.0022	3.1594		1.7430	3.8688
H6	2.0595	3.1724	1.0026	2.3837	1.7430		3.3251
H7	1.8635	2.2861	3.0354	0.9660	3.8688	3.3251

All results from a given calculation for NH₂COOH (Carbamic acid)

using model chemistry: CCSD(T)/aug-cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

	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	118.332	C1	N3	H6	120.886
C1	O4	H7	105.142	O2	C1	N3	125.902
O2	C1	O4	123.614	N3	C1	O4	110.484
H5	N3	H6	120.782

	hartrees
Energy at 0K	-244.785205
Energy at 298.15K
HF Energy	-243.927685
Nuclear repulsion energy	123.409588

All results from a given calculation for NH2COOH (Carbamic acid)

using model chemistry: CCSD(T)/aug-cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

All results from a given calculation for NH₂COOH (Carbamic acid)