%chk=000070178.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070178

0 1
 O   0.2365000      0.7943000       1.745300    
 O   0.1365000      -2.607500      -1.351900    
 O   -4.654300       1.121000     -0.7225000    
 N    1.767500      -1.050000     -0.7657000    
 N  -0.1888000     -0.9826000      0.2972000    
 N   -2.403800     -0.1527000      0.4669000    
 C    1.938100      5.0900001E-02  0.1618000    
 C    3.050700     -0.2332000       1.175500    
 C    2.142600       1.379800     -0.5720000    
 C    4.441500     -0.1093000      0.5536000    
 C    3.539900       1.492100      -1.181100    
 C    4.629500       1.234600     -0.1443000    
 C   0.5685000      2.6699999E-02  0.8503000    
 C   0.5148000      -1.656700     -0.6798000    
 C   -1.542600      -1.310400      0.6983000    
 C   -2.417800      0.2109000     -0.9568000    
 C   -3.772100     -0.4190000      0.9319000    
 C   -3.331800       1.413300      -1.174900    
 C   -4.655000      0.7976000      0.6685000    
 H    2.935400      -1.234600       1.609600    
 H    2.976300      0.4742000       2.012100    
 H    1.996700       2.213200      0.1279000    
 H    1.391000       1.507900      -1.361700    
 H    4.597900     -0.9209000     -0.1672000    
 H    5.202700     -0.2278000       1.333000    
 H    3.672100       2.491100      -1.612100    
 H    3.642600      0.7761000      -2.005500    
 H    4.618300       2.037700      0.6029000    
 H    5.612100       1.263300     -0.6285000    
 H    2.485700      -1.356300      -1.414500    
 H   -1.507400      -1.533700       1.771000    
 H   -1.889700      -2.202800      0.1645000    
 H   -2.775900     -0.6328000      -1.561400    
 H   -1.422300      0.4891000      -1.318500    
 H   -3.773400     -0.6335000       2.006600    
 H   -4.187800      -1.290900      0.4102000    
 H   -2.956700       2.305800     -0.6592000    
 H   -3.390600       1.648100      -2.242500    
 H   -5.687600      0.5786000      0.9586000    
 H   -4.325600       1.669300       1.247200    


%chk=000070178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070178

0 1
O 0.342015 0.229551 2.126551
O 0.018561 -1.907252 -2.056145
O -4.842720 1.129505 -0.601953
N 1.757815 -0.635392 -1.032294
N -0.124779 -0.989205 0.148531
N -2.515645 -0.435167 0.030662
C 1.996317 0.073334 0.247520
C 3.181664 -0.537210 1.051999
C 2.201482 1.603457 0.049933
C 4.549269 -0.205764 0.411553
C 3.573284 1.930249 -0.584199
C 4.735545 1.319508 0.233926
C 0.659273 -0.193618 0.984452
C 0.518353 -1.249192 -1.108690
C -1.518139 -1.412400 0.439387
C -3.351343 -0.784090 -1.139651
C -3.269128 0.245617 1.106708
C -4.048238 0.483572 -1.662627
C -3.969822 1.488218 0.529758
H 3.041248 -1.631557 1.131356
H 3.134176 -0.121756 2.077302
H 2.124285 2.077334 1.047612
H 1.377193 2.003714 -0.569379
H 4.636465 -0.707481 -0.575071
H 5.357417 -0.621330 1.042604
H 3.688545 3.028292 -0.655343
H 3.611388 1.546561 -1.625554
H 4.769042 1.800299 1.232939
H 5.703233 1.532152 -0.258705
H 2.418217 -0.673116 -1.805374
H -1.556662 -1.588166 1.530237
H -1.655179 -2.372313 -0.092355
H -4.130607 -1.540863 -0.876666
H -2.705414 -1.208501 -1.929926
H -2.564557 0.552380 1.901462
H -4.040938 -0.425130 1.557784
H -3.283796 1.195417 -2.042543
H -4.766831 0.244048 -2.463671
H -4.632989 1.956058 1.276145
H -3.204301 2.221137 0.194524


