%chk=000160244.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160244

0 1
 O   -1.083300       1.169000     -0.7297000    
 O   0.2995000     -0.4886000      0.1434000    
 O   -4.396200     -0.4694000       1.053600    
 O   -4.727500       1.431400      -1.087200    
 O    3.005800     -0.9977000      0.8302000    
 O   -1.136700       3.193900      -2.582100    
 O    1.691200      -3.017800     -5.1100001E-02
 O    1.880300      -3.857000      -2.876000    
 O  -0.5115000      -2.124500       2.491300    
 O    4.813000       1.907800     -0.6575000    
 O    1.269200       3.685900       1.002100    
 N   -2.003100      -2.114700      0.7044000    
 N    1.938100       1.487200       1.375700    
 C   -2.064000     -0.6813000      0.5066000    
 C   -3.451100     -0.2757000     -6.9999998E-04
 C  -0.9662000     -0.2273000     -0.4617000    
 C   -3.485100       1.192400     -0.4313000    
 C   -2.315900       1.507800      -1.367700    
 C    1.300300     -0.7535000     -0.8494000    
 C    2.636200     -0.2055000     -0.3076000    
 C   -2.246400       2.988700      -1.726700    
 C    1.286500      -2.253600      -1.188100    
 C    2.612000       1.267800      0.1204000    
 C    2.243600      -2.592500      -2.330300    
 C   -1.228500      -2.709700       1.683800    
 C    4.013700       1.828200      0.2722000    
 C   -1.368800      -4.208400       1.686700    
 C    1.322000       2.683200       1.709600    
 C   0.6730000       2.634000       3.066800    
 H   -1.888400     -0.2115000       1.484300    
 H   -3.768900     -0.9209000     -0.8290000    
 H   -1.068500     -0.7811000      -1.405200    
 H   -3.452000       1.837600      0.4550000    
 H   -2.395000      0.9364000      -2.302700    
 H    1.070300     -0.1772000      -1.756900    
 H    3.408500     -0.3586000      -1.070500    
 H   -2.512000      -2.708100      5.5100001E-02
 H   -3.154200       3.318400      -2.241100    
 H   -2.094700       3.600200     -0.8309000    
 H   0.2713000      -2.583500      -1.433000    
 H    2.123900       1.876000     -0.6510000    
 H   -4.137600      9.8800004E-02   1.799200    
 H   -4.747000      0.8959000      -1.898600    
 H    3.280200      -2.659600      -1.985000    
 H    2.170300      -1.856300      -3.136700    
 H    3.887400     -0.7064000       1.118300    
 H    1.958800      0.7384000       2.062400    
 H   -1.109000       4.142600      -2.793700    
 H    1.655800      -3.956700     -0.3025000    
 H    4.316000       2.144500       1.286100    
 H   -1.149000      -4.606700      0.6920000    
 H  -0.6657000      -4.643300       2.402500    
 H   -2.387900      -4.481900       1.973400    
 H    2.501800      -4.043700      -3.600200    
 H    1.391100       2.287100       3.815300    
 H   0.3271000       3.632600       3.347300    
 H  -0.1819000       1.952500       3.037700    


%chk=000160244-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000160244

0 1
O -1.005257 1.245122 -0.593243
O 0.455348 -0.451584 0.059367
O -4.218490 -0.359294 1.548237
O -4.693621 1.612720 -0.314209
O 3.232836 -1.076086 0.531957
O -1.706475 3.176154 -2.761713
O 0.780706 -2.981798 -0.577147
O 2.242293 -4.035727 -2.550742
O -3.450688 -2.741403 2.187762
O 5.276114 0.833472 0.385895
O 1.633504 3.762508 0.227520
N -1.587467 -2.130119 0.903166
N 2.102502 1.639414 1.027896
C -1.825826 -0.669260 0.787482
C -3.281788 -0.238830 0.445036
C -0.896289 -0.188272 -0.351694
C -3.332930 1.264971 0.082611
C -2.370161 1.608343 -1.065719
C 1.410041 -0.618041 -1.046781
C 2.807897 -0.196987 -0.561504
C -2.346303 3.081127 -1.439196
C 1.294045 -2.072306 -1.616184
C 2.908173 1.295810 -0.154613
C 2.608681 -2.657455 -2.155000
C -2.337374 -3.026388 1.612926
C 4.347699 1.672769 0.229275
C -1.782952 -4.441403 1.695561
C 1.426080 2.852090 1.088071
C 0.421650 2.983216 2.221265
H -1.528324 -0.158086 1.727041
H -3.622762 -0.830648 -0.437069
H -1.151451 -0.735581 -1.291690
H -3.036084 1.832768 0.993175
H -2.627587 1.015982 -1.970218
H 1.137883 0.085215 -1.862058
H 3.497572 -0.311575 -1.429862
H -0.682012 -2.452708 0.503078
H -3.389668 3.450865 -1.475393
H -1.774396 3.641982 -0.671461
H 0.561287 -2.064301 -2.452503
H 2.579729 1.963771 -0.978269
H -4.108217 -1.303273 1.933193
H -5.283977 1.169270 0.354625
H 3.365823 -2.671392 -1.348667
H 2.972490 -2.083126 -3.030195
H 4.185022 -0.831868 0.714611
H 1.843235 0.858210 1.636432
H -1.409160 4.106830 -2.913844
H 0.975900 -3.895712 -0.925208
H 4.505664 2.755281 0.433973
H -1.655817 -4.712376 2.757736
H -2.516120 -5.144833 1.265028
H -0.816663 -4.554338 1.177924
H 3.054754 -4.567576 -2.733972
H 0.676840 2.358121 3.094454
H 0.352136 4.036819 2.532014
H -0.567245 2.665119 1.842138


