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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	-245.002539
Energy at 298.15K	-244.997747
HF Energy	-243.820318
Nuclear repulsion energy	125.251734

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4088	3852	136.42
2	A'	3998	3767	89.58
3	A'	3864	3641	74.00
4	A'	2017	1901	689.22
5	A'	1788	1685	165.83
6	A'	1588	1496	189.15
7	A'	1367	1288	228.06
8	A'	1193	1124	46.16
9	A'	1067	1005	20.08
10	A'	645	608	49.97
11	A'	533	502	6.49
12	A"	878	827	86.34
13	A"	632	595	74.48
14	A"	543	512	79.90
15	A"	160i	151i	330.93

Atom	x (Å)	y (Å)
C1	0.000	0.132
O2	-0.083	1.349
N3	1.146	-0.593
O4	-1.082	-0.704
H5	2.025	-0.101
H6	1.127	-1.600
H7	-1.854	-0.107

	C1	O2	N3	O4	H5	H6	H7
C1		1.2202	1.3558	1.3668	2.0379	2.0659	1.8697
O2	1.2202		2.2982	2.2828	2.5583	3.1874	2.2931
N3	1.3558	2.2982		2.2306	1.0068	1.0071	3.0394
O4	1.3668	2.2828	2.2306		3.1642	2.3836	0.9759
H5	2.0379	2.5583	1.0068	3.1642		1.7469	3.8789
H6	2.0659	3.1874	1.0071	2.3836	1.7469		3.3339
H7	1.8697	2.2931	3.0394	0.9759	3.8789	3.3339

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

using model chemistry: G3

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	118.365	C1	N3	H6	121.105
C1	O4	H7	107.364	O2	C1	N3	125.609
O2	C1	O4	123.194	N3	C1	O4	111.197
H5	N3	H6	120.530

	hartrees
Energy at 0K	-245.002109
Energy at 298.15K	-245.007206
HF Energy	-243.820345
Nuclear repulsion energy	125.231986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4088	3851	136.40
2	A	3988	3757	83.47
3	A	3857	3634	68.85
4	A	2020	1903	677.81
5	A	1791	1688	157.47
6	A	1587	1495	190.10
7	A	1369	1290	216.39
8	A	1199	1130	56.85
9	A	1066	1005	19.81
10	A	878	827	93.91
11	A	647	609	55.16
12	A	625	589	83.88
13	A	547	516	50.79
14	A	525	495	21.64
15	A	225	212	334.77

Atom	x (Å)	y (Å)	z (Å)
C1	-0.041	0.125	-0.001
O2	-0.490	1.259	0.007
N3	1.278	-0.216	-0.056
O4	-0.815	-1.000	0.002
H5	1.936	0.521	0.145
H6	1.544	-1.162	0.176
H7	-1.734	-0.670	0.005

	C1	O2	N3	O4	H5	H6	H7
C1		1.2193	1.3629	1.3658	2.0212	2.0487	1.8706
O2	1.2193		2.3030	2.2817	2.5392	3.1658	2.2949
N3	1.3629	2.3030		2.2356	1.0088	1.0092	3.0461
O4	1.3658	2.2817	2.2356		3.1469	2.3709	0.9760
H5	2.0212	2.5392	1.0088	3.1469		1.7282	3.8607
H6	2.0487	3.1658	1.0092	2.3709	1.7282		3.3186
H7	1.8706	2.2949	3.0461	0.9760	3.8607	3.3186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.747	C1	N3	H6	120.420
C1	O4	H7	107.359	O2	C1	N3	125.585
O2	C1	O4	123.189	N3	C1	O4	111.221
H5	N3	H6	119.276

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

using model chemistry: G3

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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