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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	-244.801001
Energy at 298.15K
HF Energy	-243.923810
Nuclear repulsion energy	123.555172

Atom	x (Å)	y (Å)
C1	0.000	0.131
O2	-0.063	1.341
N3	1.138	-0.607
O4	-1.092	-0.682
H5	2.016	-0.125
H6	1.103	-1.608
H7	-1.844	-0.078

	C1	O2	N3	O4	H5	H6	H7
C1		1.2114	1.3569	1.3615	2.0324	2.0591	1.8563
O2	1.2114		2.2889	2.2694	2.5446	3.1708	2.2772
N3	1.3569	2.2889		2.2317	1.0011	1.0012	3.0294
O4	1.3615	2.2694	2.2317		3.1576	2.3821	0.9647
H5	2.0324	2.5446	1.0011	3.1576		1.7409	3.8609
H6	2.0591	3.1708	1.0012	2.3821	1.7409		3.3206
H7	1.8563	2.2772	3.0294	0.9647	3.8609	3.3206

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.285	C1	N3	H6	120.924
C1	O4	H7	104.581	O2	C1	N3	125.963
O2	C1	O4	123.669	N3	C1	O4	110.368
H5	N3	H6	120.790

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

using model chemistry: QCISD(T)/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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	hartrees
Energy at 0K	-244.799264
Energy at 298.15K
HF Energy	-243.926902
Nuclear repulsion energy	125.231357

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

using model chemistry: QCISD(T)/cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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