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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	-244.492297
Energy at 298.15K
HF Energy	-243.815920
Nuclear repulsion energy	122.828737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3771	3617
2	A'	3725	3573
3	A'	3637	3489
4	A'	1877	1801
5	A'	1645	1578
6	A'	1473	1414
7	A'	1263	1212
8	A'	1098	1054
9	A'	967	927
10	A'	581	557
11	A'	486	466
12	A"	764	733
13	A"	603	578
14	A"	487	467
15	A"	324i	311i

Atom	x (Å)	y (Å)
C1	0.000	0.132
O2	-0.081	1.351
N3	1.148	-0.596
O4	-1.086	-0.701
H5	2.029	-0.105
H6	1.127	-1.605
H7	-1.858	-0.104

	C1	O2	N3	O4	H5	H6	H7
C1		1.2213	1.3597	1.3692	2.0430	2.0710	1.8733
O2	1.2213		2.3023	2.2854	2.5631	3.1933	2.2969
N3	1.3597	2.3023		2.2369	1.0089	1.0094	3.0467
O4	1.3692	2.2854	2.2369		3.1721	2.3906	0.9766
H5	2.0430	2.5631	1.0089	3.1721		1.7511	3.8876
H6	2.0710	3.1933	1.0094	2.3906	1.7511		3.3418
H7	1.8733	2.2969	3.0467	0.9766	3.8876	3.3418

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

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

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	118.457	C1	N3	H6	121.182
C1	O4	H7	104.745	O2	C1	N3	126.171
O2	C1	O4	123.720	N3	C1	O4	110.109
H5	N3	H6	120.360

	hartrees
Energy at 0K	-244.492751
Energy at 298.15K	-244.497628
HF Energy	-243.815619
Nuclear repulsion energy	122.731516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3723	3572
2	A	3721	3570
3	A	3600	3454
4	A	1877	1801
5	A	1661	1594
6	A	1472	1412
7	A	1270	1219
8	A	1119	1074
9	A	967	928
10	A	766	735
11	A	592	568
12	A	579	555
13	A	503	483
14	A	470	451
15	A	425	408

Atom	x (Å)	y (Å)	z (Å)
C1	-0.041	0.125	-0.001
O2	-0.483	1.262	0.008
N3	1.283	-0.224	-0.066
O4	-0.824	-0.996	0.003
H5	1.934	0.513	0.171
H6	1.535	-1.165	0.209
H7	-1.742	-0.661	0.005

	C1	O2	N3	O4	H5	H6	H7
C1		1.2201	1.3705	1.3675	2.0202	2.0477	1.8739
O2	1.2201		2.3094	2.2835	2.5360	3.1633	2.2983
N3	1.3705	2.3094		2.2451	1.0120	1.0125	3.0571
O4	1.3675	2.2835	2.2451		3.1487	2.3747	0.9769
H5	2.0202	2.5360	1.0120	3.1487		1.7254	3.8626
H6	2.0477	3.1633	1.0125	2.3747	1.7254		3.3222
H7	1.8739	2.2983	3.0571	0.9769	3.8626	3.3222

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	115.151	C1	N3	H6	117.688
C1	O4	H7	104.902	O2	C1	N3	126.007
O2	C1	O4	123.786	N3	C1	O4	110.167
H5	N3	H6	116.913

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

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

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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