%chk=000148558.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148558

0 1
 O    1.613800       2.365400       1.326400    
 O    3.154400      1.6300000E-02  -1.477000    
 N    1.601300     -0.1551000      0.2388000    
 N   -3.596300     -0.2511000     -0.3402000    
 N   0.8970000       3.175100     -0.6999000    
 N    4.311600      -2.342000     -0.6372000    
 N   -5.796700      0.4619000     -0.4892000    
 N   -5.388000      -1.370900      0.8025000    
 C   0.6608000      0.8066000     -0.2752000    
 C  -0.7757000      0.5052000      0.1647000    
 C   -1.236400     -0.8913000     -0.2714000    
 C   -2.645500      -1.216600      0.2130000    
 C    1.096600       2.174900      0.2283000    
 C    2.787700     -0.4765000     -0.4122000    
 C    3.589100      -1.531600      0.3399000    
 C    4.567600     -0.8666000       1.300000    
 C   -4.841300     -0.4037000     -1.1200000E-02
 H   0.7186000      0.7883000      -1.370600    
 H   -1.443700       1.271400     -0.2473000    
 H  -0.8511000      0.5828000       1.257500    
 H   -1.201600     -0.9554000      -1.366000    
 H  -0.5563000      -1.657000      0.1187000    
 H    1.420700     -0.5540000       1.155700    
 H   -2.899700      -2.231500     -0.1158000    
 H   -2.663500      -1.190600       1.309400    
 H    2.907800      -2.185300      0.8955000    
 H    4.031200     -0.2637000       2.041100    
 H    5.256300     -0.1953000      0.7738000    
 H    5.161500      -1.612100       1.839700    
 H    1.159400       4.133800     -0.4961000    
 H   0.4727000       3.003000      -1.605700    
 H    4.850800      -3.058800     -0.1524000    
 H    4.995700      -1.765600      -1.127100    
 H   -5.547500       1.229600      -1.103400    
 H   -6.775500      0.3592000     -0.2445000    
 H   -6.384500      -1.393000      0.9911000    
 H   -4.825000      -2.091700       1.239700    


%chk=000148558-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148558

0 1
O 1.847306 2.597509 1.632157
O 1.967735 -1.238910 -1.250801
N 1.822212 0.102763 0.647537
N -3.418010 -0.171711 -0.289592
N 0.356129 3.412475 0.050453
N 3.709408 -2.934400 0.024668
N -5.501842 0.432924 -1.199919
N -5.412438 -1.500561 0.125794
C 0.750029 0.968920 0.142384
C -0.670715 0.519228 0.594101
C -1.072369 -0.868777 0.056756
C -2.552289 -1.181014 0.360310
C 1.044457 2.392113 0.669541
C 2.398423 -0.895346 -0.102657
C 3.647758 -1.554084 0.524436
C 4.901177 -0.691440 0.175298
C -4.699808 -0.420245 -0.422606
H 0.793162 0.941831 -0.964297
H -1.425274 1.245538 0.235045
H -0.711069 0.526841 1.702483
H -0.915080 -0.905504 -1.036916
H -0.429304 -1.652404 0.500425
H 2.266070 0.430137 1.514335
H -2.775185 -2.217268 0.009305
H -2.698407 -1.174711 1.466870
H 3.527752 -1.556261 1.627918
H 4.835547 0.327128 0.602999
H 5.010493 -0.607578 -0.921108
H 5.810769 -1.172043 0.581647
H 0.480531 4.366119 0.389522
H -0.290053 3.235925 -0.716843
H 4.634606 -3.367314 0.081104
H 3.264680 -3.022905 -0.897522
H -4.997678 1.186573 -1.663778
H -6.462376 0.614452 -0.911540
H -6.267551 -1.828172 -0.318309
H -4.942494 -2.125731 0.774200


