%chk=000049205.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049205

0 1
 O  -0.2289000      1.1300000E-02   2.398100    
 O  -0.2881000      2.2399999E-02  -2.406700    
 O   0.2028000      -3.857600     -1.8900000E-02
 N  -2.0000000E-02  -1.900900       1.160300    
 N  -4.6200000E-02  -1.895400      -1.183500    
 C  -0.3239000      0.2477000     -2.7000001E-03
 C   0.7294000       1.363700     -1.7100001E-02
 C    2.138200      0.7859000      3.1199999E-02
 C   -1.712800      0.8219000      2.0800000E-02
 C  -0.1843000     -0.5333000       1.293000    
 C  -0.2151000     -0.5274000      -1.305700    
 C    3.184500       1.899100     -1.3900000E-02
 C   -2.804000     -0.2082000      9.7700000E-02
 C   -1.897600       2.154700     -2.5900001E-02
 C   5.4200001E-02  -2.634200     -1.4200000E-02
 C    4.597000       1.337000     -5.0000002E-04
 C   -3.185100       2.913300     -1.1900000E-02
 H   0.6294000       2.026500      0.8538000    
 H   0.6599000       1.976400     -0.9266000    
 H    2.290900      0.2011000      0.9455000    
 H    2.307900      0.1101000     -0.8150000    
 H    3.055500       2.568100      0.8449000    
 H    3.049900       2.502900     -0.9191000    
 H   -3.801300      0.2276000      1.9000000E-03
 H   -2.725800     -0.9446000     -0.7076000    
 H   -2.788600     -0.7366000       1.055900    
 H   6.0899999E-02  -2.429000       2.024800    
 H   1.5000000E-02  -2.419500      -2.052000    
 H   -1.072600       2.854000     -9.3500003E-02
 H    4.770500      0.6903000     -0.8665000    
 H    4.778000      0.7524000      0.9071000    
 H    5.328800       2.150300     -3.2200001E-02
 H   -4.066700       2.286400      0.1308000    
 H   -3.169600       3.645600      0.8020000    
 H   -3.304500       3.456700     -0.9546000    


%chk=000049205-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049205

0 1
O -0.152333 -0.004669 2.453704
O -0.175723 -0.006328 -2.427456
O 0.107072 -3.944806 0.012942
N -0.052926 -1.933867 1.193974
N -0.077435 -1.936046 -1.168276
C -0.332256 0.286956 0.014263
C 0.793892 1.371862 0.005914
C 2.227744 0.793485 0.013661
C -1.783358 0.865800 0.021333
C -0.170006 -0.534727 1.314849
C -0.186738 -0.536056 -1.288514
C 3.296652 1.909389 -0.032639
C -2.878906 -0.186539 0.068079
C -2.006318 2.207101 -0.017156
C -0.003673 -2.693642 0.012913
C 4.737559 1.356124 -0.017471
C -3.337190 2.923719 -0.021328
H 0.652746 2.009781 0.897068
H 0.657130 1.990292 -0.899601
H 2.389302 0.182230 0.925027
H 2.376127 0.123252 -0.858068
H 3.150430 2.589271 0.831149
H 3.142492 2.521434 -0.944255
H -3.881953 0.265707 0.059480
H -2.823051 -0.873381 -0.799264
H -2.808753 -0.806832 0.983055
H 0.027783 -2.467860 2.066023
H -0.011849 -2.471219 -2.040865
H -1.141333 2.880340 -0.048819
H 4.919602 0.698319 -0.888183
H 4.925184 0.762636 0.897148
H 5.482720 2.171689 -0.049270
H -4.205368 2.245925 0.010527
H -3.408220 3.606565 0.847709
H -3.431344 3.552795 -0.927955


