%chk=000022640.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022640

0 1
 O   -5.019000      0.7918000     -6.5600000E-02
 O    1.332600       2.103200     -0.1318000    
 O   -3.525700      -2.988600     -0.3902000    
 O   -5.197100      -1.850400      0.6478000    
 N   0.4621000     -6.9399998E-02  3.4499999E-02
 N    6.752100      -1.203900      5.5300001E-02
 C  -0.9372000      0.1498000      9.3000000E-03
 C   -2.795000       1.659800     -0.1199000    
 C   -1.417100       1.444000     -9.5299996E-02
 C   -3.170800     -0.7195000      6.5300003E-02
 C   -3.671900      0.5780000     -3.9600000E-02
 C   -1.792900     -0.9353000      9.0099998E-02
 C    2.847200      0.3417000     -1.2400000E-02
 C   -3.311700       3.056100     -0.2341000    
 C    1.494700      0.8761000     -3.4200002E-02
 C    3.896000       1.118200      0.4800000    
 C    3.095200     -0.9479000     -0.4828000    
 C   -4.067700      -1.863900      0.1503000    
 C    5.441000     -0.6843000      3.1700000E-02
 C    5.192900      0.6052000      0.5020000    
 C    4.392200      -1.460800     -0.4606000    
 H  -0.7897000       2.319800     -0.1610000    
 H   -1.382700      -1.937700      0.1842000    
 H   0.7145000      -1.046400      0.1555000    
 H   -3.907100       3.173800      -1.145700    
 H   -3.919500       3.315200      0.6393000    
 H   -2.499000       3.789200     -0.2864000    
 H    3.723600       2.123300      0.8563000    
 H    2.319100      -1.575400     -0.9107000    
 H    6.001700       1.219500      0.8894000    
 H    4.574700      -2.464100     -0.8374000    
 H   -5.226700       1.735700     -0.1408000    
 H    6.932600      -2.138100     -0.2875000    
 H    7.513400     -0.6406000      0.4101000    
 H   -4.136200      -3.754000     -0.3290000    


%chk=000022640-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022640

0 1
O -5.145640 0.806514 -0.144742
O 1.338257 2.121244 0.113924
O -3.363050 -3.094957 0.011050
O -5.371131 -1.942068 -0.062936
N 0.446460 -0.047265 0.043086
N 6.878340 -1.215007 0.005545
C -0.948114 0.225590 0.000888
C -2.876869 1.748445 -0.098219
C -1.485636 1.541820 -0.048232
C -3.238257 -0.698789 -0.042347
C -3.760648 0.627773 -0.095943
C -1.831289 -0.874154 0.004584
C 2.881214 0.253018 0.030615
C -3.446154 3.155898 -0.151900
C 1.512531 0.859464 0.060445
C 3.973562 1.089368 0.388841
C 3.167837 -1.084967 -0.358175
C -4.120805 -1.892144 -0.035122
C 5.573033 -0.734835 0.009875
C 5.291624 0.613653 0.386330
C 4.484377 -1.575302 -0.370900
H -0.796231 2.388793 -0.040597
H -1.451273 -1.899679 0.042592
H 0.689150 -1.037854 0.098686
H -4.034979 3.335598 -1.074673
H -4.096636 3.379057 0.718449
H -2.633451 3.899187 -0.141938
H 3.751158 2.125434 0.664574
H 2.372676 -1.760166 -0.700066
H 6.115239 1.278537 0.673442
H 4.680682 -2.606910 -0.687045
H -5.366196 1.772179 -0.182006
H 7.083070 -2.173068 -0.263636
H 7.655037 -0.613708 0.265429
H -4.009289 -3.850600 0.016222


