%chk=000160696.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160696

0 1
 O   -1.301000     -0.4424000       1.245900    
 O   -1.253600       2.581100     -0.6370000    
 O   -3.603500      0.6975000      -1.275400    
 O   -2.300500      -2.922800      0.4317000    
 O    1.753100       2.250800      0.8088000    
 N   0.7437000      0.2303000      0.3359000    
 N    3.111400      0.5963000      5.4400001E-02
 N    4.497400      -1.102700     -0.7206000    
 C   -1.362700       1.175400     -0.4988000    
 C   -2.774900      0.7773000     -0.1339000    
 C  -0.5745000      0.6687000      0.6974000    
 C   -2.564600     -0.5583000      0.5658000    
 C   -2.505600      -1.770400     -0.3572000    
 C   0.9128000      -1.071600     -0.1085000    
 C    1.869600       1.087500      0.4195000    
 C    2.098300      -1.562300     -0.4652000    
 C    3.254500     -0.6344000     -0.3626000    
 H   -1.057200      0.7179000      -1.447400    
 H   -3.207300       1.514400      0.5543000    
 H  -0.4999000       1.436800       1.476400    
 H   -3.334400     -0.7254000       1.327700    
 H   -1.725800      -1.700200      -1.118000    
 H   -3.462300      -1.891900     -0.8762000    
 H  -0.3139000       2.787200     -0.7785000    
 H   -4.474000      0.3794000     -0.9813000    
 H   6.4400002E-02  -1.730300     -0.1477000    
 H   -2.281700      -3.685400     -0.1712000    
 H    2.240300      -2.580300     -0.8027000    
 H    4.640600      -2.052200      -1.048300    
 H    5.314600     -0.5041000     -0.6668000    


%chk=000160696-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160696

0 1
O -1.400638 -0.405715 1.418126
O -1.396375 2.723492 -0.330342
O -3.699315 0.667206 -1.223384
O -2.032790 -2.938718 0.233912
O 1.290558 2.207435 -0.361109
N 0.707499 0.048274 0.319440
N 2.887715 0.502756 -0.621933
N 4.424858 -1.212927 -0.892450
C -1.423517 1.279691 -0.337883
C -2.852610 0.776371 -0.040312
C -0.582626 0.637456 0.808558
C -2.615361 -0.621650 0.572348
C -2.409836 -1.710761 -0.485542
C 0.994478 -1.292480 0.439214
C 1.656398 0.988393 -0.245239
C 2.224520 -1.778382 0.029785
C 3.169625 -0.818386 -0.492719
H -1.085187 0.874637 -1.315960
H -3.299055 1.451605 0.716960
H -0.337854 1.396606 1.573135
H -3.398062 -0.938600 1.278708
H -1.617906 -1.421348 -1.206264
H -3.360670 -1.826795 -1.041015
H -0.420689 2.955293 -0.410234
H -3.812413 1.574350 -1.604356
H 0.200745 -1.917780 0.861914
H -2.154012 -3.716549 -0.365161
H 2.457728 -2.840906 0.118380
H 4.731904 -2.179228 -0.826197
H 5.056189 -0.497438 -1.249881


