%chk=000056616.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056616

0 1
 O   -1.330500       1.866100     -0.4554000    
 O   -1.786800      -2.502600     -0.2201000    
 O    1.383300       1.864600     -0.3389000    
 N    3.505800      0.1420000      1.3800000E-02
 N  -3.3399999E-02  0.2458000      0.6136000    
 N   -2.661000       2.177000     -0.7087000    
 C    2.326500      3.1999999E-03  0.8676000    
 C    3.211600     -0.3181000      -1.342800    
 C    4.632500     -0.6037000      0.5735000    
 C   -2.534500      0.2516000      0.5011000    
 C   -2.933100     -0.9567000       1.241700    
 C   -1.295600      0.7281000      0.2579000    
 C    1.189100      0.8352000      0.2993000    
 C   -3.361200       1.198500     -0.1278000    
 C   -3.050800      -2.213600      0.3636000    
 C    4.426600     -0.1811000      -2.244500    
 C    4.991700     -9.7000003E-02   1.960000    
 C   -4.832000       1.212800     -0.2005000    
 C   -1.848100      -3.652100      -1.053100    
 H    2.491400      0.4124000       1.870000    
 H    2.032100      -1.048900      0.9679000    
 H    2.417300      0.2709000      -1.811200    
 H    2.876000      -1.363500      -1.348600    
 H    5.535800     -0.4566000     -2.7100001E-02
 H    4.433100      -1.682100      0.6124000    
 H   -2.199900      -1.150400       2.035100    
 H   -3.893000     -0.7878000       1.744500    
 H  -4.0700000E-02 -0.6144000       1.156000    
 H   -3.370800      -3.059200      0.9832000    
 H   -3.793300      -2.053000     -0.4273000    
 H    4.891100      0.8070000      -2.155400    
 H    5.180600     -0.9514000      -2.055200    
 H    4.120100     -0.3016000      -3.290000    
 H    5.964500     -0.5040000       2.258700    
 H    4.274000     -0.4169000       2.721500    
 H    5.074100      0.9950000       1.984700    
 H   -5.263600       1.342700      0.7973000    
 H   -5.201500       2.026600     -0.8334000    
 H   -5.207500      0.2722000     -0.6164000    
 H  -0.8528000      -3.828100      -1.469900    
 H   -2.548400      -3.490800      -1.878400    
 H   -2.144400      -4.531300     -0.4730000    


%chk=000056616-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056616

0 1
O -1.572240 1.845553 -1.034641
O -1.410201 -2.382187 0.714287
O 1.298608 1.653498 -0.667562
N 3.422942 -0.255606 -0.289733
N -0.297505 0.032975 -0.057761
N -2.987756 2.297358 -1.038601
C 2.045792 -0.618558 0.034419
C 3.676416 -0.105242 -1.748557
C 4.426457 -1.097381 0.407806
C -2.749256 0.403276 0.305603
C -3.098149 -0.697902 1.280133
C -1.492487 0.723238 -0.215438
C 1.015321 0.495610 -0.277811
C -3.627639 1.407572 -0.238799
C -2.867172 -2.134204 0.775357
C 4.823222 0.877276 -2.049392
C 4.544081 -0.788175 1.913438
C -5.104935 1.575412 -0.006315
C -1.081402 -3.727178 0.233485
H 1.976698 -0.828161 1.119273
H 1.698562 -1.556929 -0.485150
H 2.757443 0.295935 -2.208089
H 3.881978 -1.097944 -2.225872
H 5.404984 -0.899874 -0.064632
H 4.221916 -2.190910 0.260755
H -2.531013 -0.582075 2.225761
H -4.167650 -0.611713 1.548394
H -0.451829 -0.943347 0.275770
H -3.317378 -2.866697 1.478798
H -3.308914 -2.280750 -0.232731
H 4.576849 1.865294 -1.626235
H 5.785957 0.544324 -1.619706
H 4.962921 0.981468 -3.141673
H 5.351589 -1.392570 2.367283
H 3.613237 -1.015125 2.465330
H 4.773679 0.281007 2.060461
H -5.324279 1.745857 1.063797
H -5.477257 2.442207 -0.576035
H -5.666970 0.679956 -0.329477
H 0.017695 -3.799725 0.232217
H -1.466742 -3.891474 -0.793214
H -1.501276 -4.497288 0.910755


