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	hartrees
Energy at 0K	-244.543110
Energy at 298.15K
HF Energy	-243.840624
Nuclear repulsion energy	122.867080

Atom	x (Å)	y (Å)
C1	0.000	0.130
O2	-0.072	1.351
N3	1.147	-0.601
O4	-1.092	-0.694
H5	2.024	-0.112
H6	1.123	-1.605
H7	-1.862	-0.107

	C1	O2	N3	O4	H5	H6	H7
C1		1.2226	1.3601	1.3683	2.0388	2.0670	1.8775
O2	1.2226		2.3009	2.2851	2.5564	3.1883	2.3085
N3	1.3601	2.3009		2.2410	1.0043	1.0047	3.0497
O4	1.3683	2.2851	2.2410		3.1704	2.3951	0.9688
H5	2.0388	2.5564	1.0043	3.1704		1.7441	3.8868
H6	2.0670	3.1883	1.0047	2.3951	1.7441		3.3404
H7	1.8775	2.3085	3.0497	0.9688	3.8868	3.3404

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.374	C1	N3	H6	121.140
C1	O4	H7	105.625	O2	C1	N3	125.892
O2	C1	O4	123.666	N3	C1	O4	110.442
H5	N3	H6	120.486

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

using model chemistry: QCISD(TQ)/6-31+G**

States and conformations

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

using model chemistry: QCISD(TQ)/6-31+G**

States and conformations

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