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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	-244.720360
Energy at 298.15K
HF Energy	-243.893541
Nuclear repulsion energy	123.187626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3858	3710
2	A'	3810	3663
3	A'	3671	3530
4	A'	1852	1781
5	A'	1629	1566
6	A'	1442	1387
7	A'	1248	1200
8	A'	1078	1036
9	A'	953	916
10	A'	583	561
11	A'	487	468
12	A"	770	740
13	A"	581	559
14	A"	449	432
15	A"	409i	393i

Atom	x (Å)	y (Å)
C1	0.000	0.135
O2	-0.054	1.348
N3	1.135	-0.618
O4	-1.098	-0.679
H5	2.021	-0.145
H6	1.092	-1.621
H7	-1.845	-0.069

	C1	O2	N3	O4	H5	H6	H7
C1		1.2145	1.3623	1.3663	2.0399	2.0678	1.8558
O2	1.2145		2.2980	2.2796	2.5560	3.1828	2.2835
N3	1.3623	2.2980		2.2340	1.0038	1.0042	3.0300
O4	1.3663	2.2796	2.2340		3.1638	2.3839	0.9638
H5	2.0399	2.5560	1.0038	3.1638		1.7443	3.8659
H6	2.0678	3.1828	1.0042	2.3839	1.7443		3.3213
H7	1.8558	2.2835	3.0300	0.9638	3.8659	3.3213

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

using model chemistry: MP4=FULL/6-311G**

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	118.323	C1	N3	H6	121.064
C1	O4	H7	104.250	O2	C1	N3	126.103
O2	C1	O4	123.981	N3	C1	O4	109.916
H5	N3	H6	120.613

	hartrees
Energy at 0K	-244.721199
Energy at 298.15K	-244.726132
HF Energy	-243.893082
Nuclear repulsion energy	123.085598

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3856	3708
2	A	3751	3607
3	A	3628	3488
4	A	1851	1780
5	A	1638	1575
6	A	1440	1384
7	A	1259	1210
8	A	1105	1063
9	A	954	917
10	A	776	746
11	A	589	566
12	A	563	541
13	A	514	494
14	A	499	480
15	A	437	421

Atom	x (Å)	y (Å)	z (Å)
C1	-0.044	0.127	-0.002
O2	-0.488	1.256	0.009
N3	1.284	-0.220	-0.074
O4	-0.818	-0.997	0.003
H5	1.918	0.516	0.194
H6	1.524	-1.150	0.233
H7	-1.723	-0.666	0.006

	C1	O2	N3	O4	H5	H6	H7
C1		1.2131	1.3751	1.3644	2.0104	2.0359	1.8569
O2	1.2131		2.3076	2.2771	2.5239	3.1441	2.2851
N3	1.3751	2.3076		2.2428	1.0076	1.0081	3.0418
O4	1.3644	2.2771	2.2428		3.1326	2.3583	0.9640
H5	2.0104	2.5239	1.0076	3.1326		1.7124	3.8334
H6	2.0359	3.1441	1.0081	2.3583	1.7124		3.2912
H7	1.8569	2.2851	3.0418	0.9640	3.8334	3.2912

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	114.187	C1	N3	H6	116.522
C1	O4	H7	104.471	O2	C1	N3	126.034
O2	C1	O4	124.013	N3	C1	O4	109.907
H5	N3	H6	116.325

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

using model chemistry: MP4=FULL/6-311G**

States and conformations

Conformer 1 (CS)

Conformer 2 (C1)

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