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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	-244.185346
Energy at 298.15K	-244.190153
HF Energy	-243.750236
Nuclear repulsion energy	119.714771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3791	3651	70.40
2	A'	3669	3534	59.88
3	A'	3632	3498	84.31
4	A'	1739	1675	530.08
5	A'	1667	1606	67.68
6	A'	1399	1347	162.11
7	A'	1208	1163	162.54
8	A'	1082	1043	90.94
9	A'	872	839	96.14
10	A'	535	516	29.38
11	A'	466	449	8.69
12	A"	714	688	73.75
13	A"	579	557	102.41
14	A"	501	482	501.41
15	A"	455	438	0.69

Atom	x (Å)	y (Å)
C1	0.000	0.144
O2	-0.219	1.384
N3	1.226	-0.490
O4	-1.032	-0.835
H5	2.070	0.070
H6	1.274	-1.502
H7	-1.913	-0.394

	C1	O2	N3	O4	H5	H6	H7
C1		1.2587	1.3799	1.4226	2.0710	2.0814	1.9873
O2	1.2587		2.3661	2.3629	2.6394	3.2489	2.4551
N3	1.3799	2.3661		2.2837	1.0126	1.0129	3.1402
O4	1.4226	2.3629	2.2837		3.2308	2.4003	0.9856
H5	2.0710	2.6394	1.0126	3.2308		1.7612	4.0096
H6	2.0814	3.2489	1.0129	2.4003	1.7612		3.3743
H7	1.9873	2.4551	3.1402	0.9856	4.0096	3.3743

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

using model chemistry: MP2/LANL2DZ

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	119.106	C1	N3	H6	120.097
C1	O4	H7	109.886	O2	C1	N3	127.392
O2	C1	O4	123.468	N3	C1	O4	109.140
H5	N3	H6	120.797

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3791	3651	70.34
2	A	3670	3535	59.75
3	A	3632	3498	84.21
4	A	1741	1677	531.64
5	A	1668	1606	66.61
6	A	1398	1346	161.58
7	A	1207	1163	161.30
8	A	1082	1042	91.06
9	A	870	837	97.92
10	A	714	687	73.25
11	A	578	557	101.51
12	A	535	515	29.22
13	A	501	483	501.87
14	A	467	449	8.67
15	A	454	437	1.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.026	0.143	0.000
O2	0.469	1.320	-0.000
N3	-1.294	-0.257	0.000
O4	0.861	-1.010	-0.000
H5	-2.022	0.447	0.000
H6	-1.527	-1.243	-0.001
H7	1.809	-0.739	0.001

	C1	O2	N3	O4	H5	H6	H7
C1		1.2581	1.3799	1.4237	2.0713	2.0814	1.9884
O2	1.2581		2.3659	2.3634	2.6402	3.2486	2.4564
N3	1.3799	2.3659		2.2837	1.0127	1.0129	3.1404
O4	1.4237	2.3634	2.2837		3.2312	2.3997	0.9856
H5	2.0713	2.6402	1.0127	3.2312		1.7609	4.0105
H6	2.0814	3.2486	1.0129	2.3997	1.7609		3.3737
H7	1.9884	2.4564	3.1404	0.9856	4.0105	3.3737

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.134	C1	N3	H6	120.104
C1	O4	H7	109.908	O2	C1	N3	127.438
O2	C1	O4	123.479	N3	C1	O4	109.082
H5	N3	H6	120.761

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

using model chemistry: MP2/LANL2DZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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