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

	hartrees
Energy at 0K	-244.612117
Energy at 298.15K
HF Energy	-243.866053
Nuclear repulsion energy	122.410935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3781	3697
2	A'	3769	3685
3	A'	3621	3541
4	A'	1801	1761
5	A'	1616	1580
6	A'	1421	1389
7	A'	1238	1211
8	A'	1073	1049
9	A'	936	916
10	A'	575	562
11	A'	480	469
12	A"	766	749
13	A"	582	569
14	A"	477	467
15	A"	251i	245i

Atom	x (Å)	y (Å)
C1	0.000	0.133
O2	-0.068	1.355
N3	1.150	-0.607
O4	-1.099	-0.695
H5	2.034	-0.118
H6	1.118	-1.616
H7	-1.863	-0.096

	C1	O2	N3	O4	H5	H6	H7
C1		1.2243	1.3671	1.3753	2.0490	2.0758	1.8772
O2	1.2243		2.3093	2.2939	2.5669	3.1995	2.3081
N3	1.3671	2.3093		2.2505	1.0097	1.0101	3.0561
O4	1.3753	2.2939	2.2505		3.1850	2.4009	0.9707
H5	2.0490	2.5669	1.0097	3.1850		1.7557	3.8969
H6	2.0758	3.1995	1.0101	2.4009	1.7557		3.3464
H7	1.8772	2.3081	3.0561	0.9707	3.8969	3.3464

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

using model chemistry: QCISD(T)/aug-cc-pVDZ

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	118.331	C1	N3	H6	120.930
C1	O4	H7	104.983	O2	C1	N3	125.942
O2	C1	O4	123.766	N3	C1	O4	110.292
H5	N3	H6	120.740

	hartrees
Energy at 0K	-244.612350
Energy at 298.15K	-244.617132
HF Energy	-243.865870
Nuclear repulsion energy	122.335293

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3780	3696
2	A	3725	3642
3	A	3589	3510
4	A	1802	1762
5	A	1617	1581
6	A	1418	1386
7	A	1243	1215
8	A	1089	1065
9	A	937	916
10	A	764	747
11	A	578	565
12	A	563	550
13	A	490	479
14	A	458	448
15	A	351	343

Atom	x (Å)	y (Å)	z (Å)
C1	-0.040	0.126	-0.001
O2	-0.470	1.272	0.007
N3	1.285	-0.238	-0.061
O4	-0.841	-0.990	0.002
H5	1.950	0.494	0.158
H6	1.530	-1.188	0.190
H7	-1.750	-0.650	0.006

	C1	O2	N3	O4	H5	H6	H7
C1		1.2233	1.3757	1.3740	2.0301	2.0567	1.8783
O2	1.2233		2.3156	2.2921	2.5458	3.1754	2.3096
N3	1.3757	2.3156		2.2564	1.0127	1.0131	3.0643
O4	1.3740	2.2921	2.2564		3.1651	2.3867	0.9708
H5	2.0301	2.5458	1.0127	3.1651		1.7346	3.8763
H6	2.0567	3.1754	1.0131	2.3867	1.7346		3.3293
H7	1.8783	2.3096	3.0643	0.9708	3.8763	3.3293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	115.585	C1	N3	H6	118.053
C1	O4	H7	105.161	O2	C1	N3	125.893
O2	C1	O4	123.786	N3	C1	O4	110.287
H5	N3	H6	117.799

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

using model chemistry: QCISD(T)/aug-cc-pVDZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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