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	hartrees
Energy at 0K	-169.578008
Energy at 298.15K	-169.581965
HF Energy	-168.911699
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3912	3709	87.29
2	A'	3280	3110	3.24
3	A'	3169	3005	4.57
4	A'	1752	1661	1.77
5	A'	1490	1413	16.95
6	A'	1387	1315	75.72
7	A'	1215	1152	12.18
8	A'	968	917	99.28
9	A'	543	515	6.63
10	A"	1027	974	33.12
11	A"	816	774	3.93
12	A"	418	397	128.49

Atom	x (Å)	y (Å)
C1	1.131	-0.032
N2	0.000	0.536
O3	-1.026	-0.401
H4	1.237	-1.107
H5	1.994	0.609
H6	-1.810	0.147

	C1	N2	O3	H4	H5	H6
C1		1.2657	2.1883	1.0803	1.0748	2.9466
N2	1.2657		1.3895	2.0570	1.9954	1.8515
O3	2.1883	1.3895		2.3709	3.1843	0.9565
H4	1.0803	2.0570	2.3709		1.8753	3.2954
H5	1.0748	1.9954	3.1843	1.8753		3.8321
H6	2.9466	1.8515	0.9565	3.2954	3.8321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.922	N2	C1	H4	122.319
N2	C1	H5	116.739	N2	O3	H6	102.653
H4	C1	H5	120.942

All results from a given calculation for CH₂NOH (formaldoxime)

using model chemistry: CCSD=FULL/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 CH2NOH (formaldoxime)

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CH₂NOH (formaldoxime)