%chk=000099580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099580

0 1
 O    6.007500     -0.2327000      0.5890000    
 O   -3.620700       2.496100      0.8683000    
 O   -1.057100       2.714000     -0.1466000    
 N    1.282000      0.1815000     -0.3902000    
 C   0.2742000      0.5165000      -1.386600    
 C    2.622600      0.2713000     -0.9559000    
 C   -1.120400      0.4224000     -0.8274000    
 C    3.668400     -4.7300000E-02  0.1077000    
 C   -1.807900     -0.7885000     -0.9102000    
 C   -3.100500     -0.8933000     -0.3969000    
 C   -1.725900       1.528600     -0.2309000    
 C    5.081800      5.9799999E-02 -0.4487000    
 C   -3.018600       1.423800      0.2824000    
 C   -3.705800      0.2129000      0.1994000    
 C   -3.835100      -2.188100     -0.4850000    
 C    7.350000     -0.1490000      0.1298000    
 C   -3.606600      -3.078600      0.7089000    
 C    8.284300     -0.4700000       1.276900    
 C   -4.943000       2.304400       1.367200    
 C   -3.029000      -4.283800      0.6486000    
 H   0.4493000       1.505600      -1.827800    
 H   0.3508000     -0.1834000      -2.230100    
 H    2.801400       1.280300      -1.347600    
 H    2.726800     -0.4362000      -1.787300    
 H    3.512400      -1.056900      0.5095000    
 H    3.567300      0.6339000      0.9627000    
 H    1.207900      0.8198000      0.4019000    
 H   -1.335900      -1.652900      -1.371800    
 H    5.261900       1.073800     -0.8246000    
 H    5.216200     -0.6517000      -1.271900    
 H   -4.710900      7.1500003E-02  0.5827000    
 H   -4.913000      -2.001000     -0.5768000    
 H   -3.557500      -2.705000      -1.413300    
 H    7.553100      0.8626000     -0.2391000    
 H    7.508100     -0.8636000     -0.6857000    
 H   -3.950500      -2.716700       1.674900    
 H  -0.1000000       2.569700     -0.2135000    
 H    8.130800      0.2283000       2.106300    
 H    8.086400      -1.474300       1.665800    
 H    9.328800     -0.4147000      0.9577000    
 H   -5.265900       3.258300       1.797500    
 H   -4.966300       1.567500       2.177200    
 H   -5.647500       2.064900      0.5634000    
 H   -2.901800      -4.877700       1.547000    
 H   -2.674300      -4.695800     -0.2895000    


%chk=000099580-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099580

0 1
O 5.855975 -0.929798 0.273394
O -4.562361 2.547281 -0.147928
O -2.081677 3.290623 -0.744710
N 1.200133 0.477261 -0.311085
C 0.187992 1.381937 -0.874503
C 2.593787 0.792248 -0.679216
C -1.235677 0.959029 -0.518203
C 3.567689 -0.215889 -0.039322
C -1.536795 -0.398611 -0.248039
C -2.850445 -0.811334 0.058602
C -2.276818 1.922112 -0.476482
C 5.026315 0.062163 -0.416752
C -3.608852 1.520045 -0.164749
C -3.882738 0.159275 0.098680
C -3.168814 -2.286363 0.315645
C 7.286958 -0.772259 -0.023504
C -2.253855 -2.935227 1.339163
C 8.039567 -1.856448 0.747293
C -5.941449 2.171282 0.162435
C -1.508348 -4.047896 1.121918
H 0.365373 2.451268 -0.555057
H 0.314786 1.382409 -1.977872
H 2.891690 1.833529 -0.386977
H 2.675074 0.739837 -1.784340
H 3.295569 -1.238897 -0.354958
H 3.480346 -0.181368 1.064884
H 1.080857 0.347904 0.702768
H -0.720838 -1.126785 -0.289266
H 5.327020 1.091142 -0.109487
H 5.169440 -0.019150 -1.519357
H -4.903577 -0.156978 0.337155
H -4.218561 -2.368127 0.664668
H -3.106161 -2.859453 -0.631036
H 7.625935 0.243511 0.283003
H 7.456947 -0.871043 -1.119703
H -2.213443 -2.439573 2.321287
H -1.113112 3.477687 -0.846904
H 7.862312 -1.750959 1.831495
H 7.694574 -2.857965 0.437597
H 9.126284 -1.783755 0.558837
H -6.509345 3.112298 0.119974
H -6.024171 1.730854 1.175934
H -6.344715 1.457954 -0.583492
H -0.870891 -4.476010 1.903647
H -1.514182 -4.561459 0.151960


