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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	-244.559205
Energy at 298.15K
HF Energy	-243.840632
Nuclear repulsion energy	122.876591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3845	3845
2	A'	3838	3838
3	A'	3692	3692
4	A'	1834	1834
5	A'	1655	1655
6	A'	1448	1448
7	A'	1244	1244
8	A'	1094	1094
9	A'	961	961
10	A'	578	578
11	A'	487	487
12	A"	756	756
13	A"	583	583
14	A"	452	452
15	A"	351i	351i

Atom	x (Å)	y (Å)
C1	0.000	0.130
O2	-0.073	1.351
N3	1.147	-0.600
O4	-1.091	-0.696
H5	2.024	-0.111
H6	1.124	-1.604
H7	-1.862	-0.110

	C1	O2	N3	O4	H5	H6	H7
C1		1.2233	1.3593	1.3683	2.0378	2.0662	1.8774
O2	1.2233		2.3010	2.2859	2.5563	3.1882	2.3096
N3	1.3593	2.3010		2.2398	1.0037	1.0041	3.0484
O4	1.3683	2.2859	2.2398		3.1688	2.3939	0.9683
H5	2.0378	2.5563	1.0037	3.1688		1.7424	3.8854
H6	2.0662	3.1882	1.0041	2.3939	1.7424		3.3388
H7	1.8774	2.3096	3.0484	0.9683	3.8854	3.3388

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

using model chemistry: QCISD(T)=FULL/6-31+G**

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	118.396	C1	N3	H6	121.182
C1	O4	H7	105.648	O2	C1	N3	125.907
O2	C1	O4	123.692	N3	C1	O4	110.402
H5	N3	H6	120.422

	hartrees
Energy at 0K	-244.559621
Energy at 298.15K	-244.564489
HF Energy	-243.840160
Nuclear repulsion energy	122.802541

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3843	3843
2	A	3798	3798
3	A	3663	3663
4	A	1835	1835
5	A	1665	1665
6	A	1446	1446
7	A	1252	1252
8	A	1112	1112
9	A	961	961
10	A	762	762
11	A	584	584
12	A	568	568
13	A	497	497
14	A	461	461
15	A	432	432

Atom	x (Å)	y (Å)	z (Å)
C1	-0.039	0.124	-0.000
O2	-0.467	1.268	0.007
N3	1.280	-0.237	-0.062
O4	-0.838	-0.985	0.003
H5	1.940	0.489	0.161
H6	1.526	-1.181	0.189
H7	-1.748	-0.655	0.001

	C1	O2	N3	O4	H5	H6	H7
C1		1.2221	1.3682	1.3670	2.0181	2.0456	1.8784
O2	1.2221		2.3072	2.2836	2.5347	3.1627	2.3102
N3	1.3682	2.3072		2.2468	1.0062	1.0067	3.0571
O4	1.3670	2.2836	2.2468		3.1484	2.3789	0.9684
H5	2.0181	2.5347	1.0062	3.1484		1.7205	3.8643
H6	2.0456	3.1627	1.0067	2.3789	1.7205		3.3211
H7	1.8784	2.3102	3.0571	0.9684	3.8643	3.3211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	115.567	C1	N3	H6	118.134
C1	O4	H7	105.817	O2	C1	N3	125.832
O2	C1	O4	123.675	N3	C1	O4	110.453
H5	N3	H6	117.455

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

using model chemistry: QCISD(T)=FULL/6-31+G**

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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