%chk=000155664.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155664

0 1
 O  -0.2983000       1.282200       1.551200    
 O    3.418500     -0.1035000     -0.1617000    
 O    1.780100      0.3384000      -1.709300    
 O   -4.229900       1.715100      -1.579500    
 N    1.288100     -0.6013000      0.3544000    
 N   -1.840200      0.9578000     -0.1550000    
 N   -6.375900       1.919500      0.4044000    
 N   -7.432000       1.786700      0.2249000    
 C  -0.1394000     -0.7211000      0.1961000    
 C  -0.7186000      -1.876100       1.021100    
 C  -0.7544000      0.6034000      0.6337000    
 C   -2.063100      -2.338200      0.5148000    
 C   -2.575300       2.190600      1.4400000E-02
 C   -2.137600      -3.346000     -0.4470000    
 C   -3.231500      -1.757300       1.007900    
 C   -1.894900       3.342300     -0.7327000    
 C    2.128100     -8.1900001E-02 -0.6108000    
 C   -4.053300       1.977700     -0.3553000    
 C   -3.380400      -3.772700     -0.9151000    
 C   -4.474200      -2.184100      0.5398000    
 C   -4.548600      -3.191800     -0.4217000    
 C    4.403100      0.4093000      -1.066500    
 C    5.755600      0.3139000     -0.4238000    
 C   -4.947300       2.099700      0.6481000    
 C    6.239400       1.373500      0.3436000    
 C    6.529100     -0.8346000     -0.5934000    
 C    7.496700       1.284900      0.9413000    
 C    7.786300     -0.9231000      4.4000000E-03
 C    8.270000      0.1367000      0.7717000    
 H  -0.3323000     -0.8792000     -0.8726000    
 H  -0.7997000      -1.598600       2.080700    
 H  -2.9400000E-02  -2.731500       1.000100    
 H   -2.506200       2.447500       1.080900    
 H    1.700100     -0.8688000       1.243500    
 H   -2.112500      0.3478000     -0.9208000    
 H   -1.234600      -3.804500     -0.8410000    
 H   -3.189100     -0.9757000       1.761700    
 H   -2.460800       4.273300     -0.6200000    
 H  -0.8863000       3.513500     -0.3396000    
 H   -1.787400       3.130700      -1.802600    
 H   -3.438500      -4.556600      -1.664500    
 H   -5.383700      -1.731400      0.9239000    
 H   -5.516200      -3.523700     -0.7866000    
 H    4.385600     -0.1685000      -1.998900    
 H    4.173000       1.453800      -1.310700    
 H   -4.642700       2.332000       1.663200    
 H    5.645300       2.272500      0.4849000    
 H    6.162300      -1.667600      -1.187000    
 H    7.873200       2.109600       1.539200    
 H    8.388400      -1.817400     -0.1270000    
 H    9.248700      6.7500003E-02   1.237400    


%chk=000155664-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000155664

0 1
O -1.277156 -0.343361 2.127316
O 3.188064 -1.666429 -0.442843
O 1.334701 -0.860493 -1.664678
O -0.192572 2.546954 -1.759074
N 1.078156 -1.979920 0.370342
N -0.577093 0.577184 0.106752
N -1.540273 5.023232 -1.515533
N -1.478302 5.735182 -2.450270
C -0.397606 -1.867976 0.365910
C -1.036315 -3.035564 1.156734
C -0.807152 -0.481702 0.951975
C -2.511501 -3.235023 0.826539
C -0.821577 1.957353 0.541184
C -2.893386 -4.081425 -0.247091
C -3.525311 -2.577133 1.569473
C 0.256917 2.449929 1.551840
C 1.822558 -1.453854 -0.657038
C -0.816067 2.867830 -0.701292
C -4.255416 -4.268236 -0.573466
C -4.888416 -2.764915 1.246500
C -5.258982 -3.609855 0.174672
C 4.099270 -0.973143 -1.427240
C 4.379214 0.456991 -1.017788
C -1.540619 4.132290 -0.530245
C 3.516475 1.507430 -1.429905
C 5.508108 0.763718 -0.215592
C 3.780781 2.839154 -1.039724
C 5.773698 2.095870 0.172647
C 4.909495 3.137269 -0.239858
H -0.713309 -1.910693 -0.692136
H -0.914270 -2.830160 2.236365
H -0.471312 -3.953057 0.905862
H -1.808845 1.994676 1.040750
H 1.559883 -2.352947 1.190045
H -0.122824 0.427285 -0.809749
H -2.119644 -4.603081 -0.825359
H -3.233035 -1.909828 2.387614
H 0.042875 3.478392 1.894242
H 0.249483 1.780254 2.427578
H 1.256859 2.430956 1.084583
H -4.533281 -4.928174 -1.403289
H -5.660902 -2.252861 1.831749
H -6.316408 -3.756073 -0.073605
H 5.004722 -1.598551 -1.394871
H 3.621497 -1.030174 -2.419807
H -2.104872 4.380147 0.369427
H 2.635336 1.275945 -2.038170
H 6.178831 -0.043083 0.105432
H 3.109108 3.640167 -1.368265
H 6.650866 2.322229 0.789172
H 5.116849 4.171973 0.056386


