%chk=000104596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104596

0 1
 O   -3.339000     -0.5714000      0.1045000    
 O   -1.351300      -2.511100      0.2432000    
 O    1.088700      -1.858100     -0.9675000    
 O   -2.442500       2.074900     -4.3400001E-02
 O  -0.3397000       3.752000      0.7272000    
 C   -3.559300      -1.785700      0.8118000    
 C   -2.721300      -2.882900      0.1842000    
 C   -4.101800      0.4952000      0.6512000    
 C  -0.5138000      -3.517000     -0.3137000    
 C   0.9308000      -3.064500     -0.2224000    
 C   -3.825700       1.758200     -0.1416000    
 C    2.028500     -0.9771000     -0.5280000    
 C   -2.121400       3.241400     -0.7880000    
 C    3.954900      0.8271000      0.3754000    
 C    3.163400      -1.442800      0.1358000    
 C    1.856800      0.3907000     -0.7401000    
 C    4.126600     -0.5407000      0.5876000    
 C    2.820100       1.292900     -0.2886000    
 C  -0.6389000       3.527200     -0.6451000    
 C    4.984900       1.791700      0.8574000    
 H   -4.620100      -2.056000      0.7712000    
 H   -3.259800      -1.645600       1.857000    
 H   -3.007900      -3.011000     -0.8661000    
 H   -2.878900      -3.825000      0.7207000    
 H   -3.807400      0.6436000       1.696700    
 H   -5.169200      0.2526000      0.6054000    
 H  -0.7889000      -3.665400      -1.364300    
 H  -0.6459000      -4.457700      0.2322000    
 H    1.592400      -3.833900     -0.6347000    
 H    1.157000      -2.907000      0.8401000    
 H   -4.079200       1.595300      -1.195600    
 H   -4.425800       2.585500      0.2530000    
 H   -2.370400       3.091200      -1.844200    
 H   -2.700600       4.084700     -0.3942000    
 H    3.350000      -2.500700      0.2954000    
 H   0.9791000      0.7477000      -1.268500    
 H    5.010800     -0.9159000       1.096300    
 H    2.677100       2.355800     -0.4640000    
 H  -0.3598000       4.417200      -1.216700    
 H  -4.8900001E-02   2.677400     -0.9878000    
 H    4.532400       2.753800       1.120800    
 H    5.487100       1.417600       1.756000    
 H    5.736300       1.958800      7.9300001E-02
 H   0.6161000       3.921000      0.7860000    


%chk=000104596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104596

0 1
O -3.963959 -0.600275 0.013568
O -1.563175 -2.311307 0.357541
O 1.025990 -1.146767 -0.708859
O -3.041653 2.288090 0.649142
O -0.881054 3.904701 -0.147588
C -3.929069 -1.909034 0.666668
C -2.896287 -2.760613 -0.056736
C -4.700819 0.418318 0.769619
C -0.497896 -2.994834 -0.378677
C 0.837287 -2.398200 0.036799
C -4.336673 1.788566 0.191938
C 2.225920 -0.442761 -0.491718
C -1.857715 1.642035 0.024774
C 4.582689 1.144312 -0.210479
C 3.235118 -0.831657 0.421093
C 2.390167 0.733054 -1.266062
C 4.398514 -0.034664 0.548649
C 3.553376 1.510052 -1.121975
C -0.684047 2.549814 0.385111
C 5.827102 2.002371 -0.057557
H -4.927965 -2.397705 0.612150
H -3.641836 -1.807381 1.735606
H -3.024687 -2.645230 -1.154407
H -3.037481 -3.833433 0.207919
H -4.420536 0.387037 1.844946
H -5.798098 0.244050 0.682499
H -0.634640 -2.874223 -1.474638
H -0.507184 -4.082716 -0.137511
H 1.659695 -3.102841 -0.207784
H 0.836680 -2.205400 1.128496
H -4.372048 1.736492 -0.917736
H -5.069777 2.538122 0.541398
H -1.719940 0.611144 0.399416
H -2.004793 1.602340 -1.074697
H 3.133283 -1.732839 1.033004
H 1.601624 1.013688 -1.971838
H 5.174891 -0.342489 1.259843
H 3.663439 2.420159 -1.724086
H 0.247601 2.170175 -0.064306
H -0.563398 2.576919 1.488917
H 5.578777 3.003681 0.343248
H 6.555265 1.538970 0.630632
H 6.333692 2.158538 -1.028557
H -1.810881 4.155743 0.096135


