%chk=000155296.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155296

0 1
 O   -4.399100       1.186600     -0.5943000    
 O   -5.176100     -0.8343000      -1.448300    
 O   -3.231200      -2.421900      0.9302000    
 O   -2.576800      -3.073300      -1.187400    
 N   0.2831000       1.899900      0.8123000    
 N    2.573300      -1.050800      0.7751000    
 C   -1.921800      4.4000000E-03  0.2436000    
 C   -2.107500       1.527500      9.9600002E-02
 C   0.4997000      0.4297000      0.8748000    
 C  -0.4581000     -0.3632000     -3.6899999E-02
 C   -1.125300       2.259500       1.028300    
 C   -2.907400     -0.7424000     -0.6691000    
 C   -3.583700       1.879800      0.3587000    
 C    1.923800      0.1246000      0.5292000    
 C   0.8476000       2.519800     -0.4074000    
 C   -4.339500     -0.2320000     -0.4606000    
 C    2.797000      0.9831000     -0.1019000    
 C    2.385800       2.364400     -0.4716000    
 C   -3.886000       3.364400      0.1871000    
 C   -2.877000      -2.213800     -0.3698000    
 C    4.034600      0.3014000     -0.2540000    
 C    3.866500     -0.9723000      0.3020000    
 C    5.286600      0.6400000     -0.8053000    
 C    4.892400      -1.924000      0.3270000    
 C    6.320200     -0.3032000     -0.7856000    
 C    6.123800      -1.564900     -0.2283000    
 C   -3.244700      -3.789200       1.352600    
 H   -2.129100     -0.2582000       1.291500    
 H   -1.882400       1.797300     -0.9423000    
 H   0.3314000      0.1176000       1.914600    
 H  -0.2244000     -0.1839000      -1.095100    
 H  -0.3062000      -1.437200      0.1300000    
 H   -1.233700       3.345500      0.9308000    
 H   -1.379500       2.035000       2.072700    
 H   -2.609800     -0.6011000      -1.716700    
 H   -3.886800       1.577700       1.369500    
 H   0.6227000       3.593300     -0.4262000    
 H   0.4011000       2.085600      -1.310400    
 H   -4.752800     -0.5033000      0.5173000    
 H    2.852300       3.068800      0.2283000    
 H    2.737200       2.614200      -1.478700    
 H   -3.401300       3.971600      0.9563000    
 H   -3.564100       3.718900     -0.7983000    
 H   -4.965700       3.542000      0.2464000    
 H    2.170000      -1.859800       1.227600    
 H   -4.686900     -0.8684000      -2.287200    
 H    5.454800       1.619700      -1.243100    
 H    4.742200      -2.906200      0.7624000    
 H    7.287100     -4.6799999E-02  -1.210400    
 H    6.940700      -2.282100     -0.2235000    
 H   -3.543500      -3.817200       2.403800    
 H   -2.244700      -4.223500       1.259800    
 H   -3.970700      -4.359700      0.7655000    


%chk=000155296-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155296

0 1
O -4.530962 1.176320 -0.501395
O -5.455182 -0.919138 -0.991090
O -3.103668 -2.595609 0.949180
O -2.682404 -3.108185 -1.284978
N 0.296864 1.936506 0.692500
N 2.551140 -1.091862 0.716255
C -1.953084 0.041503 0.247386
C -2.141140 1.569771 0.037484
C 0.500083 0.463735 0.818740
C -0.495132 -0.361332 -0.067410
C -1.108609 2.321329 0.932916
C -2.997902 -0.752726 -0.590916
C -3.599078 1.982882 0.337232
C 1.939223 0.156116 0.505131
C 0.940024 2.552234 -0.497839
C -4.432082 -0.259267 -0.232138
C 2.861268 1.039104 -0.048809
C 2.481691 2.458032 -0.388665
C -3.934225 3.442379 0.022736
C -2.900099 -2.256859 -0.395380
C 4.113182 0.320429 -0.186923
C 3.888439 -1.019843 0.299589
C 5.401271 0.664842 -0.674394
C 4.903362 -1.999767 0.310213
C 6.418737 -0.310322 -0.667206
C 6.173131 -1.628084 -0.180343
C -3.124219 -4.047872 1.248216
H -2.150434 -0.184560 1.319292
H -1.938403 1.811296 -1.027660
H 0.282141 0.203571 1.879963
H -0.268613 -0.186406 -1.137526
H -0.347605 -1.443772 0.118452
H -1.191655 3.412909 0.785570
H -1.350265 2.112325 1.997953
H -2.829732 -0.560374 -1.668787
H -3.824215 1.761294 1.407822
H 0.626751 3.611889 -0.533190
H 0.621726 2.078319 -1.458945
H -4.665205 -0.481954 0.827281
H 2.835542 3.156908 0.394929
H 2.938714 2.778662 -1.345746
H -3.386003 4.132018 0.688082
H -3.679425 3.682455 -1.024951
H -5.014865 3.614075 0.162015
H 2.099822 -1.914436 1.109899
H -5.338898 -0.699634 -1.951511
H 5.603801 1.674761 -1.048928
H 4.720228 -3.014361 0.682127
H 7.417400 -0.056969 -1.040425
H 6.984761 -2.364305 -0.187863
H -3.284520 -4.110621 2.333642
H -2.167809 -4.513940 0.956788
H -3.945764 -4.533864 0.696226


