%chk=000072252.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072252

0 1
 O   -3.078300       1.401900      -1.314600    
 O   -1.698000      0.5723000       1.181300    
 O   -3.830000      -2.283500      0.4298000    
 N   0.3076000       1.234400      0.2249000    
 N    2.473400       1.686500      0.4930000    
 N   0.4439000      -1.109200     -0.3986000    
 N    2.759400      -1.878800     -0.4493000    
 N    4.602500     -0.4418000      6.5499999E-02
 C   -1.699600       1.061100      -1.131300    
 C   -2.764300      7.9700001E-02 -0.8652000    
 C   -1.120100       1.444600      0.1854000    
 C   -2.831300     -0.1209000      0.6104000    
 C   -2.742500      -1.582200       1.010700    
 C   0.9717000      7.2099999E-02 -4.3900002E-02
 C    1.251400       2.174700      0.5416000    
 C    2.313200      0.3732000      0.1284000    
 C    3.222100     -0.6578000     -8.8000000E-02
 C    1.418800      -2.026300     -0.5802000    
 H   -1.059300       1.001900      -1.994700    
 H   -2.925100     -0.7606000      -1.518300    
 H   -1.341900       2.484000      0.4493000    
 H   -3.748900      0.3291000       1.006900    
 H   -2.774100      -1.698500       2.099100    
 H   -1.814000      -2.043800      0.6641000    
 H   0.9932000       3.193100      0.7985000    
 H   -4.650500      -1.892400      0.7755000    
 H    1.083700      -3.016500     -0.8701000    
 H    4.950200      0.4685000      0.3352000    
 H    5.242900      -1.206800     -9.7300000E-02


%chk=000072252-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072252

0 1
O -3.234634 1.459728 -1.415947
O -1.974955 1.013309 1.108502
O -3.485327 -2.444207 0.751170
N 0.252761 1.272554 0.136204
N 2.435116 1.589618 0.794038
N 0.454216 -1.046328 -0.778149
N 2.754745 -1.904276 -0.605295
N 4.523681 -0.651280 0.335401
C -1.793270 1.029233 -1.284488
C -2.870391 0.070764 -0.911654
C -1.177892 1.578010 0.001664
C -2.912034 -0.043282 0.600801
C -2.467304 -1.437944 1.091817
C 0.936151 0.088481 -0.190147
C 1.206484 2.124153 0.731062
C 2.278669 0.312959 0.218307
C 3.204924 -0.746802 -0.012405
C 1.433874 -1.987905 -0.946190
H -1.208539 0.975136 -2.205468
H -3.182679 -0.768641 -1.536816
H -1.280588 2.676657 0.067946
H -3.906452 0.220193 1.009233
H -2.268679 -1.393957 2.180862
H -1.553543 -1.753693 0.564582
H 0.935411 3.112780 1.096718
H -4.279266 -2.317167 1.329763
H 1.122041 -2.928060 -1.410775
H 4.872130 0.196844 0.777508
H 5.141453 -1.438877 0.149855


