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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	-244.889045
Energy at 298.15K
HF Energy	-243.929139
Nuclear repulsion energy	123.947377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3828	3689
2	A'	3790	3653
3	A'	3659	3526
4	A'	1842	1776
5	A'	1633	1574
6	A'	1445	1393
7	A'	1246	1201
8	A'	1078	1039
9	A'	966	931
10	A'	590	569
11	A'	489	471
12	A"	796	768
13	A"	598	576
14	A"	482	465
15	A"	233i	224i

Atom	x (Å)	y (Å)
C1	0.000	0.130
O2	-0.062	1.337
N3	1.134	-0.605
O4	-1.088	-0.678
H5	2.010	-0.125
H6	1.099	-1.605
H7	-1.846	-0.084

	C1	O2	N3	O4	H5	H6	H7
C1		1.2084	1.3516	1.3554	2.0262	2.0539	1.8588
O2	1.2084		2.2810	2.2612	2.5360	3.1627	2.2812
N3	1.3516	2.2810		2.2232	0.9992	1.0000	3.0256
O4	1.3554	2.2612	2.2232		3.1471	2.3755	0.9632
H5	2.0262	2.5360	0.9992	3.1471		1.7376	3.8567
H6	2.0539	3.1627	1.0000	2.3755	1.7376		3.3150
H7	1.8588	2.2812	3.0256	0.9632	3.8567	3.3150

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

using model chemistry: CCSD(T)=FULL/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	118.294	C1	N3	H6	120.984
C1	O4	H7	105.328	O2	C1	N3	125.914
O2	C1	O4	123.667	N3	C1	O4	110.419
H5	N3	H6	120.722

	hartrees
Energy at 0K	-244.851836
Energy at 298.15K
HF Energy	-243.929005
Nuclear repulsion energy	123.895295

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

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

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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