%chk=000048231.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048231

0 1
 O   -5.104100      -1.333900      0.9099000    
 O   -2.778500      -2.361900     -0.4020000    
 O   -5.401400      0.9992000       1.432200    
 N   0.1710000      0.4441000      -1.766300    
 C   0.3152000       1.647500     -0.9265000    
 C   -1.038700       2.272300     -0.5369000    
 C    1.169100       1.351300      0.3166000    
 C  -0.6456000     -0.5960000      -1.119100    
 C   -2.085700       1.260500     -0.1414000    
 C   -1.918800     -0.1082000     -0.4667000    
 C    2.521300      0.7699000     -7.5800002E-02
 C  -0.3216000      0.7601000      -3.108100    
 C   -2.912300      -1.038800     -0.1218000    
 C   -3.257800       1.696400      0.4969000    
 C    3.380300      0.5121000       1.164000    
 C   -4.046600     -0.5755000      0.5118000    
 C   -4.215100      0.7547000      0.8117000    
 C    4.738000     -3.0800000E-02  0.7983000    
 C   -5.959100     -0.3293000       1.492500    
 C    4.919300      -1.402400      0.6981000    
 C    5.784800      0.8496000      0.5672000    
 C   -3.766700      -2.952200      -1.246900    
 C    6.175600      -1.905000      0.3594000    
 C    7.041100      0.3469000      0.2284000    
 C    7.236400      -1.030400      0.1245000    
 H   0.8722000       2.405900      -1.495000    
 H   -1.434000       2.835500      -1.392300    
 H  -0.8941000       2.990100      0.2802000    
 H   0.6547000      0.6718000       1.006600    
 H    1.328500       2.286100      0.8698000    
 H  -4.1600000E-02  -1.088600     -0.3468000    
 H  -0.8754000      -1.378200      -1.854100    
 H    2.401000     -0.1730000     -0.6222000    
 H    3.040600       1.463000     -0.7500000    
 H   -1.348400       1.140300      -3.112000    
 H  -0.2889000     -0.1319000      -3.744100    
 H   0.3227000       1.504200      -3.589600    
 H   -3.409200       2.744100      0.7355000    
 H    2.872100     -0.1918000       1.835900    
 H    3.501300       1.438700       1.740200    
 H   -6.138900     -0.5874000       2.542500    
 H   -6.917200     -0.3323000      0.9602000    
 H    4.098900      -2.091600      0.8771000    
 H    5.642200       1.923700      0.6435000    
 H   -4.593400      -3.340600     -0.6455000    
 H   -3.302800      -3.792600      -1.771300    
 H   -4.138000      -2.243300      -1.995100    
 H    6.327700      -2.977300      0.2780000    
 H    7.867200       1.027700      4.4799998E-02
 H    8.214400      -1.421700     -0.1395000    


%chk=000048231-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048231

0 1
O -5.118841 -1.375575 0.908378
O -2.569662 -2.287888 -0.723766
O -5.388524 0.904906 1.555910
N 0.136030 0.691900 -1.961095
C 0.308817 1.819098 -1.000124
C -1.069582 2.425812 -0.599693
C 1.127386 1.386931 0.242169
C -0.647545 -0.420096 -1.379697
C -2.097478 1.361362 -0.223932
C -1.916003 0.014908 -0.633124
C 2.521681 0.824165 -0.101762
C -0.349045 1.117451 -3.290871
C -2.885507 -0.987749 -0.304936
C -3.257776 1.749655 0.508575
C 3.312041 0.395871 1.166217
C -4.032157 -0.585282 0.400340
C -4.194283 0.760597 0.791434
C 4.695224 -0.147320 0.839937
C -6.116003 -0.365909 1.345180
C 4.885867 -1.522199 0.543134
C 5.821579 0.714253 0.782502
C -3.570689 -3.354456 -0.543709
C 6.161455 -2.022369 0.197062
C 7.099910 0.220386 0.436556
C 7.274811 -1.151735 0.141637
H 0.894218 2.599524 -1.528124
H -1.462283 3.021335 -1.449591
H -0.943171 3.135792 0.240709
H 0.557583 0.641367 0.832925
H 1.240414 2.275013 0.897742
H -0.004911 -0.993848 -0.680732
H -0.910661 -1.129736 -2.183577
H 2.414333 -0.034523 -0.790154
H 3.106442 1.588283 -0.653526
H -1.401856 1.491090 -3.306040
H -0.286858 0.265207 -3.991621
H 0.305376 1.920726 -3.675877
H -3.404212 2.782796 0.834857
H 2.720991 -0.370385 1.706768
H 3.397999 1.269097 1.843623
H -6.558783 -0.692028 2.297322
H -6.865545 -0.226014 0.539908
H 4.027549 -2.204710 0.587893
H 5.694461 1.779160 1.015993
H -3.806725 -3.502376 0.523739
H -3.096559 -4.255470 -0.960881
H -4.499876 -3.121460 -1.093430
H 6.288480 -3.088325 -0.025193
H 7.958058 0.901714 0.401425
H 8.265532 -1.537947 -0.123681


