%chk=000226359.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226359

0 1
 O  -0.5553000       2.110700     -0.2729000    
 O    1.326200       3.030300      0.7750000    
 O  -0.4180000     -0.6230000     -0.7558000    
 O    2.966200       2.541400      -1.420100    
 O   -5.182000      -2.033300       1.203100    
 O    5.387600      -1.857000       1.444800    
 O   -7.295500      -1.735800     -3.0200001E-02
 O    5.230400      -3.608400     -0.2825000    
 O   -6.445600      3.8300000E-02  -1.220900    
 O    3.555600      -2.483600      -1.386200    
 C   -1.655000       1.323200     -0.1117000    
 C    2.110600       1.908300      0.7246000    
 C   -1.586400     -4.8599999E-02 -0.3547000    
 C    2.930900       1.665700     -0.3773000    
 C   -3.922000     -0.2679000      0.2235000    
 C    3.697100     -0.3852000      0.6447000    
 C   -2.719800     -0.8441000     -0.1869000    
 C    3.724300      0.5191000     -0.4170000    
 C   -2.857000       1.899400      0.2990000    
 C    2.083700       1.004100       1.786400    
 C  -8.7899998E-02   2.829100      0.8789000    
 C   -3.990600       1.103900      0.4665000    
 C    2.876800     -0.1427000       1.746400    
 C   -5.103600      -1.097400      0.3993000    
 C    4.524900      -1.580200      0.6037000    
 C  -0.4324000      -2.030900     -0.9828000    
 C    3.831000       2.219700      -2.507700    
 C   -6.360400     -0.8494000     -0.3978000    
 C    4.366300      -2.605900     -0.4914000    
 H   -2.728300      -1.915100     -0.3616000    
 H    4.386500      0.2832000      -1.243500    
 H   -2.926900       2.967600      0.4855000    
 H    1.462800       1.183000       2.659600    
 H  -0.5573000       3.818300      0.8832000    
 H  -0.3402000       2.320200       1.817500    
 H   -4.919400       1.566300      0.7905000    
 H    2.848500     -0.8389000       2.580600    
 H  -0.6482000      -2.585900     -6.3400000E-02
 H   -1.106400      -2.301200      -1.802800    
 H   0.5774000      -2.316200      -1.295300    
 H    4.881400       2.204000      -2.197400    
 H    3.527700       1.291600      -3.004100    
 H    3.730800       3.021700      -3.246500    
 H   -8.136900      -1.612600     -0.5190000    
 H    5.162800      -4.306200     -0.9685000    


%chk=000226359-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226359

0 1
O -0.739987 0.853571 -0.528123
O 1.322558 1.903651 -0.100147
O -1.960310 -0.760835 -2.211598
O 3.862089 2.553594 -0.422502
O -6.900697 -0.951835 -0.729805
O 4.922490 -3.431256 0.609606
O -8.058171 -0.497426 1.741165
O 7.492285 -2.698047 1.180624
O -7.067296 1.600492 1.661329
O 7.284818 -1.022874 -0.408544
C -2.099721 0.661017 -0.292744
C 2.242491 0.847916 0.026764
C -2.767743 -0.215179 -1.218051
C 3.616699 1.209576 -0.147403
C -4.874745 0.147951 0.002320
C 4.254026 -1.132252 0.255301
C -4.139515 -0.456533 -1.061165
C 4.610450 0.218853 -0.028402
C -2.828244 1.255429 0.763926
C 1.885188 -0.494351 0.286525
C -0.000754 1.728273 0.405517
C -4.207460 1.006203 0.912878
C 2.883753 -1.475242 0.406132
C -6.313564 -0.194461 0.097109
C 5.246912 -2.224189 0.418719
C -2.605498 -1.652038 -3.185192
C 5.259087 2.949362 -0.643349
C -7.146190 0.422409 1.241650
C 6.754886 -1.883469 0.334217
H -4.688084 -1.115419 -1.740745
H 5.660934 0.473176 -0.179712
H -2.332556 1.923111 1.474319
H 0.830748 -0.774870 0.344851
H -0.445192 2.737796 0.413908
H 0.001407 1.262271 1.413696
H -4.760042 1.495338 1.718077
H 2.624538 -2.519564 0.604146
H -3.037327 -2.541110 -2.687303
H -3.394238 -1.119572 -3.749816
H -1.797924 -1.957504 -3.865099
H 5.872617 2.776117 0.261646
H 5.698472 2.405481 -1.500950
H 5.214438 4.025151 -0.864502
H -8.624166 -0.060030 2.435674
H 8.462939 -2.499083 1.069853


