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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	-244.600375
Energy at 298.15K
HF Energy	-243.894383
Nuclear repulsion energy	123.521259

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3873	3681	90.12
2	A'	3832	3641	76.26
3	A'	3688	3504	69.13
4	A'	1885	1791	485.83
5	A'	1635	1553	139.28
6	A'	1452	1380	130.30
7	A'	1253	1191	222.55
8	A'	1088	1034	34.33
9	A'	970	921	44.26
10	A'	593	563	35.40
11	A'	494	470	4.64
12	A"	782	743	21.51
13	A"	589	560	52.12
14	A"	456	434	81.73
15	A"	380i	361i	243.74

Atom	x (Å)	y (Å)
C1	0.000	0.134
O2	-0.055	1.343
N3	1.133	-0.616
O4	-1.095	-0.677
H5	2.017	-0.142
H6	1.090	-1.618
H7	-1.841	-0.068

	C1	O2	N3	O4	H5	H6	H7
C1		1.2106	1.3587	1.3620	2.0355	2.0634	1.8524
O2	1.2106		2.2912	2.2717	2.5489	3.1749	2.2764
N3	1.3587	2.2912		2.2285	1.0029	1.0031	3.0246
O4	1.3620	2.2717	2.2285		3.1570	2.3788	0.9636
H5	2.0355	2.5489	1.0029	3.1570		1.7432	3.8588
H6	2.0634	3.1749	1.0031	2.3788	1.7432		3.3161
H7	1.8524	2.2764	3.0246	0.9636	3.8588	3.3161

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

using model chemistry: MP2/6-311G**

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	118.282	C1	N3	H6	121.033
C1	O4	H7	104.286	O2	C1	N3	126.098
O2	C1	O4	123.917	N3	C1	O4	109.985
H5	N3	H6	120.685

	hartrees
Energy at 0K	-244.600993
Energy at 298.15K	-244.605935
HF Energy	-243.894111
Nuclear repulsion energy	123.448570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3872	3680	90.07
2	A	3785	3596	54.47
3	A	3654	3472	48.25
4	A	1885	1791	447.78
5	A	1642	1560	116.36
6	A	1450	1378	132.95
7	A	1262	1199	169.75
8	A	1110	1055	85.42
9	A	972	923	41.03
10	A	787	748	47.98
11	A	597	567	55.84
12	A	571	543	72.70
13	A	505	480	19.50
14	A	487	463	162.21
15	A	443	421	137.69

Atom	x (Å)	y (Å)	z (Å)
C1	-0.044	0.127	-0.002
O2	-0.485	1.253	0.008
N3	1.279	-0.220	-0.068
O4	-0.817	-0.993	0.003
H5	1.920	0.515	0.178
H6	1.524	-1.154	0.214
H7	-1.722	-0.662	0.004

	C1	O2	N3	O4	H5	H6	H7
C1		1.2093	1.3689	1.3607	2.0099	2.0360	1.8540
O2	1.2093		2.2987	2.2701	2.5210	3.1417	2.2792
N3	1.3689	2.2987		2.2350	1.0059	1.0062	3.0339
O4	1.3607	2.2701	2.2350		3.1298	2.3562	0.9637
H5	2.0099	2.5210	1.0059	3.1298		1.7157	3.8311
H6	2.0360	3.1417	1.0062	2.3562	1.7157		3.2899
H7	1.8540	2.2792	3.0339	0.9637	3.8311	3.2899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	114.769	C1	N3	H6	117.198
C1	O4	H7	104.513	O2	C1	N3	126.044
O2	C1	O4	123.984	N3	C1	O4	109.933
H5	N3	H6	117.004

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

using model chemistry: MP2/6-311G**

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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