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%chk=Ne-nto.chk
%mem=6MW
%nproc=1
#P b3lyp/6-31g td density=transition=1 pop=nto

Ne-nto

0 1
Ne

--link1--
%chk=Ne-nto.chk
# guess=(save,only,naturalorbitals) geom=allcheck chkbasis
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%chk=Ne-nto.chk
---------------------------------------------------------------
# guess=(read,save,only,naturalorbitals) geom=allcheck chkbasis
---------------------------------------------------------------
1/29=7,38=1/1;
2/12=2,40=1/2;
3/5=7,6=2,11=9,14=-4,16=1,25=1,30=1,67=1,89=1/1,2,3;
4/5=8,38=-1/1;
6/7=3,28=1/1;
99/5=5/99;
------
Ne-nto
------
Z-Matrix taken from the checkpoint file:
Ne-nto.chk
Charge =  0 Multiplicity = 1
Ne
Recover connectivity data from disk.
                          Input orientation:                          
---------------------------------------------------------------------
Center     Atomic      Atomic             Coordinates (Angstroms)
Number     Number       Type             X           Y           Z
---------------------------------------------------------------------
      1         10           0        0.000000    0.000000    0.000000
---------------------------------------------------------------------
Stoichiometry    Ne
Framework group  OH[O(Ne)]
Deg. of freedom     0
Full point group                 OH      NOp  48
Largest Abelian subgroup         D2H     NOp   8
Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                        
---------------------------------------------------------------------
Center     Atomic      Atomic             Coordinates (Angstroms)
Number     Number       Type             X           Y           Z
---------------------------------------------------------------------
      1         10           0        0.000000    0.000000    0.000000
---------------------------------------------------------------------
Basis read from chk: Ne-nto.chk (6D, 7F)
There are     3 symmetry adapted basis functions of AG  symmetry.
There are     0 symmetry adapted basis functions of B1G symmetry.
There are     0 symmetry adapted basis functions of B2G symmetry.
There are     0 symmetry adapted basis functions of B3G symmetry.
There are     0 symmetry adapted basis functions of AU  symmetry.
There are     2 symmetry adapted basis functions of B1U symmetry.
There are     2 symmetry adapted basis functions of B2U symmetry.
There are     2 symmetry adapted basis functions of B3U symmetry.
Integral buffers will be    262144 words long.
Raffenetti 1 integral format.
Two-electron integral symmetry is turned on.
     9 basis functions,    22 primitive gaussians,     9 cartesian basis functions
     5 alpha electrons        5 beta electrons
       nuclear repulsion energy         0.0000000000 Hartrees.
NAtoms=    1 NActive=    1 NUniq=    1 SFac= 7.50D-01 NAtFMM=   80 NAOKFM=F Big=F
One-electron integrals computed using PRISM.
NBasis=     9 RedAO= T  NBF=     3     0     0     0     0     2     2     2
NBsUse=     9 1.00D-06 NBFU=     3     0     0     0     0     2     2     2
Initial guess read from the checkpoint file:  Ne-nto.chk
B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
Initial guess natural orbitals from previous density.
Failed to fetch density number   -1 IRWF=0.
Error termination via Lnk1e in d:\gaussian 09\l401.exe at Sun Aug 01 18:54:13 2010.
Job cpu time:  0 days  0 hours  0 minutes  1.0 seconds.
File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=      1

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