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	hartrees
Energy at 0K	-244.829697
Energy at 298.15K
HF Energy	-243.927028
Nuclear repulsion energy	123.155975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3779	3677
2	A'	3773	3672
3	A'	3630	3532
4	A'	1800	1752
5	A'	1613	1570
6	A'	1417	1379
7	A'	1224	1191
8	A'	1068	1039
9	A'	940	915
10	A'	575	560
11	A'	481	468
12	A"	770	749
13	A"	586	571
14	A"	474	461
15	A"	270i	263i

Atom	x (Å)	y (Å)
C1	0.000	0.131
O2	-0.074	1.347
N3	1.145	-0.599
O4	-1.088	-0.695
H5	2.021	-0.111
H6	1.117	-1.602
H7	-1.852	-0.101

	C1	O2	N3	O4	H5	H6	H7
C1		1.2179	1.3580	1.3666	2.0355	2.0620	1.8664
O2	1.2179		2.2962	2.2800	2.5525	3.1803	2.2925
N3	1.3580	2.2962		2.2354	1.0029	1.0033	3.0381
O4	1.3666	2.2800	2.2354		3.1639	2.3848	0.9677
H5	2.0355	2.5525	1.0029	3.1639		1.7435	3.8730
H6	2.0620	3.1803	1.0033	2.3848	1.7435		3.3271
H7	1.8664	2.2925	3.0381	0.9677	3.8730	3.3271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.349	C1	N3	H6	120.945
C1	O4	H7	104.888	O2	C1	N3	126.021
O2	C1	O4	123.713	N3	C1	O4	110.266
H5	N3	H6	120.706

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

using model chemistry: MP4/aug-cc-pVTZ

States and conformations

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

using model chemistry: MP4/aug-cc-pVTZ

States and conformations

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