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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	-244.799851
Energy at 298.15K
HF Energy	-243.923953
Nuclear repulsion energy	123.606020

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3825	3729
2	A'	3797	3702
3	A'	3657	3565
4	A'	1853	1806
5	A'	1624	1583
6	A'	1451	1414
7	A'	1244	1213
8	A'	1083	1056
9	A'	963	939
10	A'	587	572
11	A'	487	474
12	A"	787	767
13	A"	591	576
14	A"	478	466
15	A"	283i	275i

Atom	x (Å)	y (Å)
C1	0.000	0.131
O2	-0.063	1.340
N3	1.138	-0.608
O4	-1.092	-0.681
H5	2.015	-0.126
H6	1.102	-1.608
H7	-1.845	-0.077

	C1	O2	N3	O4	H5	H6	H7
C1		1.2107	1.3565	1.3607	2.0319	2.0588	1.8564
O2	1.2107		2.2879	2.2679	2.5435	3.1698	2.2771
N3	1.3565	2.2879		2.2310	1.0009	1.0011	3.0292
O4	1.3607	2.2679	2.2310		3.1566	2.3818	0.9645
H5	2.0319	2.5435	1.0009	3.1566		1.7407	3.8604
H6	2.0588	3.1698	1.0011	2.3818	1.7407		3.3203
H7	1.8564	2.2771	3.0292	0.9645	3.8604	3.3203

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

using model chemistry: CCSD(T)/cc-pVTZ

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	118.278	C1	N3	H6	120.933
C1	O4	H7	104.660	O2	C1	N3	125.954
O2	C1	O4	123.661	N3	C1	O4	110.384
H5	N3	H6	120.789

	hartrees
Energy at 0K	-244.800162
Energy at 298.15K	-244.805022
HF Energy	-243.923732
Nuclear repulsion energy	123.522023

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3823	3727
2	A	3754	3660
3	A	3626	3534
4	A	1854	1808
5	A	1631	1590
6	A	1449	1412
7	A	1251	1219
8	A	1100	1072
9	A	964	940
10	A	787	767
11	A	590	576
12	A	572	557
13	A	498	485
14	A	461	450
15	A	388	378

Atom	x (Å)	y (Å)	z (Å)
C1	-0.041	0.124	-0.002
O2	-0.471	1.255	0.007
N3	1.277	-0.230	-0.062
O4	-0.830	-0.983	0.002
H5	1.928	0.499	0.164
H6	1.521	-1.169	0.197
H7	-1.732	-0.641	0.009

	C1	O2	N3	O4	H5	H6	H7
C1		1.2097	1.3658	1.3594	2.0114	2.0376	1.8567
O2	1.2097		2.2948	2.2658	2.5207	3.1432	2.2769
N3	1.3658	2.2948		2.2381	1.0037	1.0041	3.0380
O4	1.3594	2.2658	2.2381		3.1353	2.3668	0.9647
H5	2.0114	2.5207	1.0037	3.1353		1.7171	3.8373
H6	2.0376	3.1432	1.0041	2.3668	1.7171		3.3015
H7	1.8567	2.2769	3.0380	0.9647	3.8373	3.3015

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	115.323	C1	N3	H6	117.780
C1	O4	H7	104.774	O2	C1	N3	125.894
O2	C1	O4	123.651	N3	C1	O4	110.424
H5	N3	H6	117.576

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

using model chemistry: CCSD(T)/cc-pVTZ

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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