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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	-244.495116
Energy at 298.15K
HF Energy	-243.815205
Nuclear repulsion energy	122.615763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3776	3606
2	A'	3725	3557
3	A'	3640	3476
4	A'	1862	1778
5	A'	1644	1569
6	A'	1463	1397
7	A'	1255	1198
8	A'	1092	1043
9	A'	956	913
10	A'	575	549
11	A'	484	462
12	A"	757	723
13	A"	604	577
14	A"	487	465
15	A"	329i	314i

Atom	x (Å)	y (Å)
C1	0.000	0.133
O2	-0.086	1.355
N3	1.151	-0.593
O4	-1.084	-0.709
H5	2.031	-0.100
H6	1.132	-1.602
H7	-1.859	-0.114

	C1	O2	N3	O4	H5	H6	H7
C1		1.2250	1.3607	1.3725	2.0442	2.0720	1.8753
O2	1.2250		2.3076	2.2925	2.5688	3.1984	2.3028
N3	1.3607	2.3076		2.2376	1.0088	1.0094	3.0475
O4	1.3725	2.2925	2.2376		3.1737	2.3894	0.9767
H5	2.0442	2.5688	1.0088	3.1737		1.7504	3.8898
H6	2.0720	3.1984	1.0094	2.3894	1.7504		3.3408
H7	1.8753	2.3028	3.0475	0.9767	3.8898	3.3408

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

using model chemistry: MP4/6-31G*

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	118.496	C1	N3	H6	121.202
C1	O4	H7	104.672	O2	C1	N3	126.279
O2	C1	O4	123.813	N3	C1	O4	109.908
H5	N3	H6	120.302

	hartrees
Energy at 0K	-244.495591
Energy at 298.15K	-244.500463
HF Energy	-243.814869
Nuclear repulsion energy	122.511767

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3727	3559
2	A	3721	3553
3	A	3603	3440
4	A	1860	1776
5	A	1660	1585
6	A	1462	1395
7	A	1262	1205
8	A	1114	1063
9	A	956	913
10	A	759	725
11	A	591	565
12	A	575	549
13	A	502	480
14	A	472	450
15	A	430	411

Atom	x (Å)	y (Å)	z (Å)
C1	-0.041	0.126	-0.001
O2	-0.491	1.264	0.008
N3	1.285	-0.219	-0.067
O4	-0.820	-1.003	0.003
H5	1.933	0.520	0.173
H6	1.541	-1.158	0.211
H7	-1.739	-0.672	0.004

	C1	O2	N3	O4	H5	H6	H7
C1		1.2239	1.3717	1.3708	2.0210	2.0483	1.8754
O2	1.2239		2.3147	2.2902	2.5412	3.1678	2.3027
N3	1.3717	2.3147		2.2469	1.0120	1.0125	3.0583
O4	1.3708	2.2902	2.2469		3.1506	2.3747	0.9771
H5	2.0210	2.5412	1.0120	3.1506		1.7239	3.8643
H6	2.0483	3.1678	1.0125	2.3747	1.7239		3.3220
H7	1.8754	2.3027	3.0583	0.9771	3.8643	3.3220

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	115.121	C1	N3	H6	117.644
C1	O4	H7	104.783	O2	C1	N3	126.099
O2	C1	O4	123.830	N3	C1	O4	110.028
H5	N3	H6	116.752

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

using model chemistry: MP4/6-31G*

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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