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	hartrees
Energy at 0K	-169.060917
Energy at 298.15K	-169.064910
HF Energy	-169.060917
Nuclear repulsion energy	71.135991

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3752	3752	82.74
2	A'	3480	3480	23.79
3	A'	2932	2932	56.77
4	A'	1749	1749	227.39
5	A'	1355	1355	14.83
6	A'	1282	1282	172.73
7	A'	1147	1147	18.57
8	A'	1015	1015	225.91
9	A'	610	610	2.73
10	A"	987	987	1.88
11	A"	798	798	72.11
12	A"	441	441	61.42

Atom	x (Å)	y (Å)
C1	0.000	0.371
O2	-0.998	-0.521
N3	1.189	-0.026
H4	-0.336	1.426
H5	-1.852	-0.059
H6	1.845	0.759

	C1	O2	N3	H4	H5	H6
C1		1.3386	1.2537	1.1073	1.9011	1.8853
O2	1.3386		2.2424	2.0567	0.9711	3.1177
N3	1.2537	2.2424		2.1060	3.0411	1.0226
H4	1.1073	2.0567	2.1060		2.1219	2.2810
H5	1.9011	0.9711	3.0411	2.1219		3.7861
H6	1.8853	3.1177	1.0226	2.2810	3.7861

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	H5	109.766	C1	N3	H6	111.428
O2	C1	N3	119.734	O2	C1	H4	114.130
N3	C1	H4	126.136

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: LSDA/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	C	0.584
2	O	-0.436
3	N	-0.758
4	H	0.154
5	H	0.248
6	H	0.207

	x	y	z	Total
	-2.072	3.060	0.000	3.696
CHELPG
AIM
ESP

	x	y	z
x	5.831	-0.074	0.000
y	-0.074	4.019	0.000
z	0.000	0.000	2.963

<r²>	41.226
(<r²>)^1/2	6.421