%chk=000087372.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087372

0 1
 O    3.874600       1.376300      0.1813000    
 O   -4.140300     -0.4964000      4.6999999E-03
 N   0.9244000       1.614000     -3.7000000E-02
 N    3.618700     -0.9035000     -3.5799999E-02
 C   0.8425000     -0.6027000      8.4399998E-02
 C    1.374500      -1.987500      0.2012000    
 C  -0.4925000     -0.1179000      3.3799998E-02
 C    1.693400      0.4845000      3.0700000E-02
 C  -0.4122000       1.275900     -4.4599999E-02
 C    2.782900      -2.049400     -0.4044000    
 C    3.135300      0.4021000      6.2300000E-02
 C   -1.765200     -0.7231000      5.2299999E-02
 C   -1.546300       2.093500     -0.1102000    
 C   -2.907000      8.3499998E-02 -1.3200000E-02
 C   -2.796900       1.469900     -9.3699999E-02
 C   -4.185700      -1.919200      8.8200003E-02
 H    1.420300      -2.254300       1.264200    
 H   0.7210000      -2.711500     -0.2965000    
 H    3.301100      -2.961900     -9.3800001E-02
 H    2.722800      -2.047100      -1.499200    
 H    1.280800       2.558800     -8.1600003E-02
 H    4.624700      -1.038900     -1.1500000E-02
 H   -1.790300      -1.804000      0.1171000    
 H   -1.462200       3.173500     -0.1703000    
 H   -3.693700       2.083300     -0.1431000    
 H   -3.728400      -2.389700     -0.7890000    
 H   -5.241700      -2.208800      8.9900002E-02
 H   -3.754900      -2.282200       1.027600    


%chk=000087372-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087372

0 1
O 3.909371 1.473763 0.200748
O -4.227416 -0.446951 0.021543
N 0.959287 1.633787 -0.073317
N 3.694603 -0.861326 0.026540
C 0.874170 -0.652210 0.046009
C 1.471252 -2.030518 0.192902
C -0.479336 -0.155730 0.018142
C 1.716343 0.465383 -0.009166
C -0.393418 1.285385 -0.063381
C 2.898152 -2.032572 -0.416436
C 3.181914 0.433817 0.071629
C -1.755879 -0.787867 0.050500
C -1.553068 2.093631 -0.116814
C -2.900558 0.029316 -0.001184
C -2.800862 1.455592 -0.084463
C -4.413802 -1.894478 0.104743
H 1.517307 -2.317839 1.263352
H 0.867350 -2.799882 -0.323813
H 3.438696 -2.948817 -0.120109
H 2.812281 -2.030175 -1.524186
H 1.367586 2.567122 -0.098084
H 4.713877 -0.936245 0.059560
H -1.829109 -1.877212 0.114331
H -1.489948 3.184907 -0.179545
H -3.732258 2.028211 -0.121429
H -3.968086 -2.409728 -0.769487
H -5.502951 -2.046916 0.108948
H -3.975799 -2.305250 1.036270


