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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	-244.661017
Energy at 298.15K
HF Energy	-243.915053
Nuclear repulsion energy	123.343099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3827	3683
2	A'	3793	3651
3	A'	3653	3516
4	A'	1842	1773
5	A'	1635	1574
6	A'	1441	1387
7	A'	1253	1206
8	A'	1088	1047
9	A'	956	920
10	A'	591	568
11	A'	494	476
12	A"	749	721
13	A"	562	541
14	A"	419	403
15	A"	446i	429i

Atom	x (Å)	y (Å)
C1	0.000	0.132
O2	-0.068	1.343
N3	1.142	-0.602
O4	-1.091	-0.688
H5	2.020	-0.116
H6	1.113	-1.606
H7	-1.854	-0.094

	C1	O2	N3	O4	H5	H6	H7
C1		1.2122	1.3580	1.3652	2.0356	2.0638	1.8677
O2	1.2122		2.2906	2.2738	2.5476	3.1761	2.2918
N3	1.3580	2.2906		2.2353	1.0036	1.0039	3.0390
O4	1.3652	2.2738	2.2353		3.1638	2.3878	0.9667
H5	2.0356	2.5476	1.0036	3.1638		1.7440	3.8744
H6	2.0638	3.1761	1.0039	2.3878	1.7440		3.3300
H7	1.8677	2.2918	3.0390	0.9667	3.8744	3.3300

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

using model chemistry: CCSD(T)/TZVP

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	118.306	C1	N3	H6	121.071
C1	O4	H7	105.154	O2	C1	N3	125.957
O2	C1	O4	123.707	N3	C1	O4	110.336
H5	N3	H6	120.623

	hartrees
Energy at 0K	-244.661912
Energy at 298.15K	-244.666849
HF Energy	-243.914413
Nuclear repulsion energy	123.244555

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3825	3682
2	A	3738	3598
3	A	3614	3479
4	A	1845	1776
5	A	1643	1581
6	A	1438	1385
7	A	1265	1218
8	A	1112	1070
9	A	957	921
10	A	762	733
11	A	596	574
12	A	553	532
13	A	534	514
14	A	502	483
15	A	429	413

Atom	x (Å)	y (Å)	z (Å)
C1	-0.040	0.126	-0.001
O2	-0.463	1.261	0.008
N3	1.279	-0.240	-0.072
O4	-0.838	-0.979	0.004
H5	1.927	0.485	0.191
H6	1.508	-1.176	0.222
H7	-1.743	-0.641	-0.002

	C1	O2	N3	O4	H5	H6	H7
C1		1.2107	1.3705	1.3634	2.0088	2.0345	1.8685
O2	1.2107		2.3001	2.2711	2.5197	3.1407	2.2929
N3	1.3705	2.3001		2.2434	1.0071	1.0076	3.0497
O4	1.3634	2.2711	2.2434		3.1343	2.3635	0.9668
H5	2.0088	2.5197	1.0071	3.1343		1.7128	3.8445
H6	2.0345	3.1407	1.0076	2.3635	1.7128		3.3023
H7	1.8685	2.2929	3.0497	0.9668	3.8445	3.3023

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	114.460	C1	N3	H6	116.818
C1	O4	H7	105.344	O2	C1	N3	125.919
O2	C1	O4	123.737	N3	C1	O4	110.291
H5	N3	H6	116.464

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

using model chemistry: CCSD(T)/TZVP

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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