%chk=000165561.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165561

0 1
 O    4.794200      0.5135000     -0.6809000    
 O  -0.2468000      -3.014100      0.5930000    
 O   0.3806000       3.471500      0.6745000    
 O   -1.274500      -1.316900       1.715200    
 O  -0.2191000       2.988800      -1.471000    
 O   -2.352000      0.9484000       2.012100    
 O   -3.804400     -0.7177000       1.454900    
 C    1.198700      0.4376000      5.0000002E-04
 C   0.8081000     -0.7531000     -0.9404000    
 C  -0.6643000      -1.032500     -0.6183000    
 C   -1.189500      0.4254000     -0.6048000    
 C  -0.1276000       1.230700      0.1854000    
 C    2.423900       1.093500     -0.6575000    
 C    3.499800      2.1800000E-02 -0.3910000    
 C    1.812300      4.3499999E-02   1.379800    
 C    1.837500      -1.876900     -0.9447000    
 C   -2.695800      0.5556000     -0.2855000    
 C   -1.432100      -1.833500      -1.674300    
 C    3.235100      -1.272500      -1.196300    
 C    3.264200     -0.2354000       1.077100    
 C   -3.485000     -0.3458000      -1.272700    
 C   -2.943500      -1.777500      -1.408000    
 C  -0.7772000      -1.770900      0.6954000    
 C  -5.1000002E-03   2.636100     -0.3208000    
 C   -3.182300       2.006100     -0.4434000    
 C   -3.029400      0.1705000       1.132700    
 C    4.174000     -0.5961000       1.989000    
 H   0.8164000     -0.3679000      -1.974700    
 H   -1.117600      0.7723000      -1.650500    
 H  -0.3601000       1.275800       1.247400    
 H    2.697000       2.046800     -0.1852000    
 H    2.301000       1.294600      -1.727900    
 H    1.332600     -0.8241000       1.835300    
 H    1.752200      0.8865000       2.079300    
 H    1.605800      -2.616900      -1.718500    
 H    1.883000      -2.411200      7.3000002E-03
 H   -1.109300      -2.880100      -1.716400    
 H   -1.239000      -1.418100      -2.672100    
 H    4.006300      -2.023100     -0.9799000    
 H    3.339900      -1.048400      -2.266600    
 H   -3.455000      0.1123000      -2.271100    
 H   -4.546200     -0.3928000     -0.9960000    
 H   -3.468100      -2.278600      -2.230400    
 H   -3.180700      -2.351000     -0.5049000    
 H   -4.260000       2.079800     -0.2519000    
 H   -2.692700       2.697800      0.2497000    
 H   -3.006000       2.373700      -1.460500    
 H    4.813900      0.7623000      -1.620800    
 H    5.209300     -0.7655000       1.715000    
 H    3.896600     -0.7332000       3.028600    
 H  -0.3076000      -3.508700       1.437700    
 H   0.4687000       4.397100      0.3619000    
 H   -2.554200      0.7115000       2.942200    


%chk=000165561-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165561

0 1
O 4.898300 0.571432 -0.688276
O -0.677396 -3.211010 0.586180
O 0.374657 3.509878 0.735597
O -0.924121 -1.318556 1.875602
O -0.154724 3.019164 -1.465765
O -2.700237 1.056404 2.114914
O -3.891383 -0.817369 1.469569
C 1.220180 0.430229 0.019502
C 0.827104 -0.782729 -0.902180
C -0.681603 -1.084897 -0.598835
C -1.213968 0.391471 -0.554561
C -0.150901 1.212412 0.232045
C 2.418872 1.129200 -0.689774
C 3.542454 0.077327 -0.430689
C 1.890276 0.043450 1.385783
C 1.903677 -1.880746 -0.889007
C -2.747496 0.554436 -0.270576
C -1.441850 -1.851673 -1.709771
C 3.272851 -1.229441 -1.245122
C 3.361764 -0.207761 1.060607
C -3.494838 -0.344068 -1.312406
C -2.966132 -1.793651 -1.438477
C -0.794665 -1.822551 0.735222
C -0.016950 2.628533 -0.282284
C -3.182702 2.035350 -0.486005
C -3.166318 0.152643 1.151511
C 4.347463 -0.581662 1.905241
H 0.800391 -0.380164 -1.939400
H -1.121355 0.733550 -1.609179
H -0.391778 1.245324 1.305558
H 2.699155 2.077026 -0.192323
H 2.240053 1.324431 -1.762714
H 1.405240 -0.802544 1.897326
H 1.798945 0.914510 2.064245
H 1.664151 -2.679495 -1.615308
H 1.972500 -2.361926 0.103489
H -1.104058 -2.900117 -1.769123
H -1.211364 -1.366543 -2.680736
H 4.097367 -1.937082 -1.040966
H 3.294487 -0.982289 -2.328639
H -3.402527 0.159991 -2.296208
H -4.569966 -0.368305 -1.057105
H -3.506012 -2.300792 -2.260728
H -3.202379 -2.351310 -0.513381
H -4.283662 2.120318 -0.431408
H -2.754066 2.701106 0.279990
H -2.854996 2.383268 -1.481263
H 5.031376 0.633123 -1.668373
H 5.378034 -0.676104 1.548249
H 4.157824 -0.767423 2.968983
H -0.747150 -3.632789 1.486182
H 0.509088 4.416695 0.344539
H -2.925612 0.702725 3.017250


