%chk=000027956.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027956

0 1
 O   -1.873000      -2.282900     -0.5062000    
 O   -1.814700       2.325500      0.7966000    
 O   -3.221800      9.1200002E-02 -3.7700001E-02
 N    4.606300      2.1000000E-02 -0.2849000    
 N    4.842400      -1.316900      0.1443000    
 C    3.173900      0.1597000     -0.5641000    
 C    2.367200     -0.1882000      0.7003000    
 C   0.8720000     -0.1141000      0.5031000    
 C    2.914500       1.585600      -1.050500    
 C   0.2148000       1.081700      0.7435000    
 C   0.1853000      -1.242800      8.5500002E-02
 C   -1.195900      -1.173900     -9.6500002E-02
 C   -1.166500       1.150600      0.5617000    
 C   -1.871900      2.2900000E-02  0.1416000    
 C   -2.370800      -3.150600      0.5103000    
 C   -1.945600       3.224600     -0.3028000    
 C   -3.716100     -0.1934000      -1.344300    
 H    2.892300     -0.5228000      -1.378500    
 H    2.650700      0.4821000       1.524600    
 H    2.590200      -1.198700       1.066600    
 H    1.891000       1.704700      -1.418900    
 H    3.575900       1.839100      -1.887600    
 H    3.085500       2.321100     -0.2564000    
 H   0.7590000       1.961500       1.075900    
 H   0.7102000      -2.175500     -0.1037000    
 H    5.144800      0.2048000      -1.130700    
 H    4.702400      -1.955800     -0.6380000    
 H    5.822500      -1.409900      0.4079000    
 H   -1.546100      -3.559400       1.102700    
 H   -2.897800      -3.977600      2.6699999E-02
 H   -3.073800      -2.620300       1.160400    
 H   -2.514600       2.762000      -1.115200    
 H  -0.9596000       3.534100     -0.6640000    
 H   -2.485800       4.110600      4.1700002E-02
 H   -2.976100      2.0400001E-02  -2.123500    
 H   -4.588400      0.4432000      -1.519800    
 H   -4.041400      -1.235600      -1.403600    


%chk=000027956-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027956

0 1
O -1.647623 -2.292336 -0.526287
O -1.712895 2.626159 0.091956
O -3.137384 0.182120 -0.555211
N 4.796298 -0.309686 -0.208617
N 4.984014 -1.601294 0.360355
C 3.388731 -0.017559 -0.597545
C 2.524691 0.120298 0.687924
C 1.032311 0.134645 0.407310
C 3.383671 1.260965 -1.455768
C 0.292810 1.341003 0.434023
C 0.349264 -1.072354 0.106950
C -1.029571 -1.064579 -0.180696
C -1.089657 1.363209 0.133786
C -1.761959 0.156526 -0.204158
C -2.737043 -2.718842 0.380878
C -2.954023 2.786067 0.880510
C -3.378892 -0.091754 -1.993293
H 2.961796 -0.856262 -1.201087
H 2.838124 1.040917 1.214808
H 2.792436 -0.741499 1.327998
H 2.351178 1.541790 -1.723588
H 3.951828 1.119548 -2.396008
H 3.840869 2.097921 -0.896110
H 0.776421 2.291825 0.681315
H 0.874778 -2.033262 0.108221
H 5.449900 -0.092786 -0.980016
H 5.090105 -2.398739 -0.279924
H 5.605971 -1.604189 1.169017
H -2.335804 -2.901282 1.396233
H -3.119998 -3.659471 -0.044242
H -3.536317 -1.957683 0.422438
H -2.740621 2.644228 1.957985
H -3.725899 2.071775 0.549745
H -3.276930 3.822609 0.697905
H -2.900372 0.688050 -2.614335
H -4.472053 -0.059340 -2.121433
H -2.987154 -1.088734 -2.264541


