%chk=000085739.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085739

0 1
 O    3.930300       1.393200      -1.526600    
 O    5.359700       1.888300      0.1628000    
 O   -1.624700       2.928300      0.7515000    
 O   0.1172000       1.611000      0.9740000    
 O   -6.141700     -0.9923000     -0.8689000    
 O   -5.898600       1.159200     -0.5068000    
 N   5.4000001E-03 -0.8448000      0.5982000    
 N    6.697600     -0.4861000     -0.3344000    
 N   -1.095300       1.793000      0.7139000    
 N   -5.431800     -4.1999999E-03 -0.5622000    
 C    2.953900      -1.200900     -7.1000000E-03
 C    2.102700      -2.069500      0.9286000    
 C    4.455400      -1.235500      0.2969000    
 C   0.6229000      -2.147400      0.5596000    
 C    5.278600     -0.3942000     -0.6874000    
 C   -1.333000     -0.6175000      0.3150000    
 C    4.891600       1.073000     -0.6219000    
 C   -1.898800      0.6717000      0.3645000    
 C   -2.168000      -1.695900     -3.4200002E-02
 C   -3.248300      0.8738000      7.5599998E-02
 C   -3.517600      -1.494000     -0.3231000    
 C   -4.057700     -0.2091000     -0.2681000    
 H    2.793200      -1.531300      -1.040800    
 H    2.594100     -0.1690000      5.6699999E-02
 H    2.202900      -1.686700       1.952300    
 H    2.509200      -3.088400      0.9337000    
 H    4.612100     -0.8762000       1.322700    
 H    4.800300      -2.277100      0.2672000    
 H   0.5342000      -2.582100     -0.4433000    
 H   0.1296000      -2.821100       1.270300    
 H    5.151000     -0.7563000      -1.713700    
 H   0.5608000     -7.9700001E-02  0.9557000    
 H    7.255300      2.6000000E-03  -1.034100    
 H    6.994900      -1.460700     -0.3662000    
 H   -1.794200      -2.714700     -9.0599999E-02
 H   -3.673700       1.873700      0.1175000    
 H   -4.118300      -2.360600     -0.5872000    
 H    3.675000       2.338600      -1.469500    


%chk=000085739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085739

0 1
O 3.132409 1.518708 -0.935879
O 3.635997 0.779698 1.212023
O -0.964706 3.042180 -0.521510
O 0.708863 1.701530 0.250301
O -6.004396 -0.686848 -0.484677
O -5.498991 1.516882 -0.824897
N 0.281602 -0.868878 0.627767
N 6.230949 0.110014 -0.379954
N -0.549660 1.900606 -0.100998
N -5.169387 0.301712 -0.534144
C 3.005638 -2.051928 -0.432881
C 2.336521 -2.210881 0.959875
C 4.516178 -1.678495 -0.333815
C 0.794877 -2.223646 0.919183
C 4.834779 -0.208948 -0.725244
C -1.016367 -0.564428 0.347791
C 3.828480 0.729574 -0.030760
C -1.465203 0.777014 0.000651
C -2.032163 -1.589065 0.371324
C -2.820863 1.051619 -0.287843
C -3.364987 -1.314998 0.089483
C -3.755972 0.014359 -0.239903
H 2.885914 -2.997151 -0.996228
H 2.468252 -1.281728 -1.023042
H 2.675785 -1.398752 1.630849
H 2.676907 -3.158804 1.418301
H 4.867252 -1.841143 0.704506
H 5.136814 -2.320368 -0.982736
H 0.440170 -2.928089 0.139801
H 0.391581 -2.572302 1.892457
H 4.706208 -0.082436 -1.813563
H 0.930987 -0.066761 0.671108
H 6.417282 0.066589 0.628491
H 6.586719 0.972969 -0.803317
H -1.742367 -2.608272 0.635416
H -3.126620 2.068004 -0.549495
H -4.127779 -2.097597 0.119204
H 2.375498 2.011159 -0.487044


