%chk=000122007.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122007

0 1
 O    2.708900       2.941500       1.579000    
 O   -2.422000       3.117200       2.323900    
 O   -1.155300      -3.772100       1.936000    
 O  -0.4481000      -1.626600       2.189900    
 C    1.677700       1.189200      -1.468900    
 C    3.218400       1.124200      -1.542200    
 C    1.375800       1.701100     -4.9800001E-02
 C    3.741500       1.927800     -0.3490000    
 C    2.528300       2.674900      0.1994000    
 C    1.165700     -0.2295000      -1.746300    
 C    3.500600     -0.3423000      -1.460700    
 C    2.387600      -1.077500      -1.569800    
 C   2.5300000E-02   2.332000      5.4499999E-02
 C    2.296000      -2.560300      -1.559200    
 C    1.455100      -3.118500     -0.4053000    
 C  -0.9226000       1.928700      0.9130000    
 C   -2.280300       2.565300       1.013600    
 C    2.040100      -2.793000      0.9718000    
 C   -3.425000       1.564100      0.8072000    
 C    1.193100      -3.394900       2.087600    
 C   -3.436400      0.9398000     -0.5912000    
 C   -4.623100       0.000000     -0.8272000    
 C  -0.1996000      -2.819600       2.074400    
 C   -4.599400     -0.6796000      -2.196800    
 C   -5.802500      -1.591800      -2.383900    
 H    1.290500       1.890100      -2.220600    
 H    3.590900       1.527800      -2.490300    
 H    1.446100      0.8750000      0.6729000    
 H    4.519900       2.635300     -0.6567000    
 H    4.196500       1.285400      0.4158000    
 H    2.385800       3.625000     -0.3289000    
 H   0.3539000     -0.5060000      -1.067800    
 H   0.8026000     -0.3165000      -2.776400    
 H    4.495300     -0.7516000      -1.351700    
 H  -0.1871000       3.164100     -0.6130000    
 H    1.857900      -2.892500      -2.508400    
 H    3.299300      -3.002800      -1.515400    
 H    2.803600       2.093400       2.044900    
 H    1.399000      -4.208600     -0.5202000    
 H   0.4273000      -2.748400     -0.4901000    
 H  -0.7146000       1.103400       1.589000    
 H   -2.389000       3.390100      0.2994000    
 H    3.060000      -3.188900       1.042800    
 H    2.103500      -1.707700       1.111000    
 H   -3.370600      0.7729000       1.567000    
 H   -4.379000       2.076600      0.9881000    
 H    1.144600      -4.484600       1.980300    
 H    1.634800      -3.187500       3.068100    
 H   -2.509300      0.3764000     -0.7508000    
 H   -3.457800       1.737000      -1.344500    
 H   -1.725400       3.786300       2.439000    
 H   -4.629500     -0.7696000     -4.5100000E-02
 H   -5.555300      0.5683000     -0.7188000    
 H   -4.594600      7.9599999E-02  -2.987200    
 H   -3.679900      -1.266400      -2.304000    
 H   -5.766900      -2.068100      -3.368600    
 H   -5.818300      -2.380700      -1.625100    
 H   -6.737700      -1.027300      -2.313000    
 H   -2.057700      -3.387200       1.933700    


%chk=000122007-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000122007

0 1
O 2.543348 2.929272 1.734587
O -2.614024 2.839886 2.380778
O -0.414741 -2.865484 3.451420
O 0.447599 -1.166001 2.134147
C 1.701817 1.169007 -1.511102
C 3.281065 1.080068 -1.493990
C 1.318550 1.616967 -0.066726
C 3.751865 1.837602 -0.209152
C 2.487757 2.572139 0.313983
C 1.187241 -0.252926 -1.876077
C 3.533129 -0.420650 -1.485958
C 2.401454 -1.157586 -1.662950
C -0.052227 2.226546 0.050039
C 2.278471 -2.666203 -1.655008
C 1.540295 -3.207009 -0.393100
C -1.048113 1.744786 0.840743
C -2.409802 2.384488 0.976064
C 2.356951 -3.018750 0.905379
C -3.579798 1.424810 0.694447
C 1.567182 -3.381933 2.179560
C -3.682865 0.992700 -0.784079
C -4.842542 0.002999 -1.036603
C 0.515391 -2.348728 2.541144
C -4.964404 -0.432973 -2.514503
C -6.116586 -1.432659 -2.755015
H 1.345973 1.928126 -2.232870
H 3.724072 1.550920 -2.394203
H 1.373704 0.728479 0.598570
H 4.586560 2.535450 -0.393106
H 4.084549 1.115047 0.562557
H 2.361202 3.547670 -0.190721
H 0.318537 -0.541675 -1.251662
H 0.848983 -0.312527 -2.931277
H 4.535393 -0.843186 -1.344529
H -0.237841 3.127145 -0.561089
H 1.718104 -2.997206 -2.553620
H 3.282329 -3.131360 -1.713525
H 2.553185 2.089944 2.263212
H 1.319804 -4.283924 -0.537869
H 0.564799 -2.691569 -0.295395
H -0.869471 0.852441 1.459072
H -2.475940 3.261407 0.292906
H 3.267376 -3.648114 0.859170
H 2.693987 -1.967999 0.973660
H -3.465860 0.534733 1.345074
H -4.514003 1.932034 1.006206
H 1.072613 -4.367047 2.093397
H 2.246412 -3.459376 3.052968
H -2.727353 0.528934 -1.104266
H -3.823609 1.889568 -1.423489
H -1.796071 3.326657 2.660509
H -4.701127 -0.896801 -0.401372
H -5.798645 0.464180 -0.711384
H -5.114410 0.465168 -3.147999
H -4.005529 -0.885895 -2.840576
H -6.185441 -1.725739 -3.818977
H -5.972705 -2.353897 -2.159064
H -7.088998 -0.993727 -2.461606
H -1.068993 -2.155827 3.698672


