%chk=000099652.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099652

0 1
 O  -0.8059000      -1.205000      0.1074000    
 O   -2.425100       2.614400      0.3277000    
 N  -0.6147000       1.139900      0.1173000    
 N    2.107200      -1.403500     -4.5899998E-02
 N   -3.338000      0.2396000      -1.921000    
 C    2.199400      0.8062000      0.1253000    
 C    1.672300       2.186000      0.2516000    
 C    1.342300     -0.2722000      5.3900000E-02
 C   0.2623000       2.238500     -0.3509000    
 C    3.532000      0.3177000      6.4700000E-02
 C    3.445300      -1.073300     -4.4199999E-02
 C  -0.1032000     -0.1962000      9.7599998E-02
 C    4.807300      0.9168000      9.3300000E-02
 C   -1.975500       1.469100      0.3092000    
 C    4.575200      -1.894800     -0.1283000    
 C   -2.936900      0.3607000      0.4852000    
 C    5.945300      0.1066000      9.8000001E-03
 C    5.828800      -1.277400     -9.9399999E-02
 C   -3.582200     -0.2177000     -0.6068000    
 C   -3.191700     -0.1039000       1.774700    
 C   -4.484500      -1.262900     -0.4089000    
 C   -4.094200      -1.149000       1.972600    
 C   -4.740600      -1.728500      0.8809000    
 C   -3.424800     -0.6113000      -3.065700    
 H    1.632000       2.456800       1.313500    
 H    2.321500       2.907100     -0.2562000    
 H  -0.1868000       3.214800     -0.1417000    
 H   0.3225000       2.135800      -1.442700    
 H    1.745600      -2.345100     -0.1108000    
 H    4.914200       1.994500      0.1784000    
 H    4.486000      -2.972800     -0.2123000    
 H    6.930900      0.5640000      3.0900000E-02
 H    6.726000      -1.887800     -0.1626000    
 H   -2.693600      0.3395000       2.633000    
 H   -5.012100      -1.730600      -1.235000    
 H   -4.293700      -1.511400       2.976800    
 H   -2.798600       1.093000      -2.016800    
 H   -5.444700      -2.540900       1.035700    
 H   -3.022800     -9.1700003E-02  -3.941500    
 H   -4.462300     -0.8732000      -3.295300    
 H   -2.841200      -1.528100      -2.930600    


%chk=000099652-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099652

0 1
O -0.050308 -1.693331 -0.948002
O -2.038190 1.681258 -1.788591
N -0.278272 0.669303 -0.649716
N 2.765059 -1.452936 -0.243407
N -4.408172 0.500080 -1.908624
C 2.462102 0.781590 0.170339
C 1.652009 2.049991 0.223075
C 1.852523 -0.393855 -0.281985
C 0.503708 1.946394 -0.806122
C 3.820197 0.442141 0.514900
C 3.982015 -0.972619 0.239462
C 0.447398 -0.562019 -0.659235
C 4.926203 1.179701 1.020998
C -1.680851 0.753742 -0.973407
C 5.207488 -1.641933 0.459177
C -2.637090 -0.148143 -0.321559
C 6.143739 0.512486 1.240370
C 6.281257 -0.883046 0.962264
C -3.992330 -0.262150 -0.838623
C -2.282807 -0.886825 0.844136
C -4.884587 -1.188778 -0.205643
C -3.183364 -1.755341 1.472986
C -4.484781 -1.915988 0.922909
C -5.723951 0.388430 -2.530842
H 1.242897 2.214653 1.240701
H 2.263671 2.937426 -0.025470
H -0.210037 2.777501 -0.701863
H 0.917572 1.992014 -1.832167
H 2.527844 -2.406855 -0.513291
H 4.830614 2.249393 1.237958
H 5.322741 -2.710438 0.248204
H 7.005362 1.064917 1.630613
H 7.244996 -1.371342 1.144807
H -1.280802 -0.756663 1.262444
H -5.898714 -1.310787 -0.596554
H -2.888340 -2.305775 2.371280
H -3.728587 1.208253 -2.227244
H -5.194218 -2.606055 1.394877
H -5.771102 1.080418 -3.387180
H -6.542627 0.654444 -1.830956
H -5.917265 -0.635556 -2.908123


