%chk=000176800.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000176800

0 1
 O    2.438600      -1.481600      0.7696000    
 O    3.401400       1.107700      0.4655000    
 O   -4.719400     -0.6436000     -0.1873000    
 N   -2.057700      0.1231000      0.2722000    
 N   -3.849200     -0.4117000      -1.237600    
 C    1.580100     -0.4428000      0.5720000    
 C    2.063200      0.8567000      0.4182000    
 C   0.2076000     -0.6869000      0.5232000    
 C  -0.6818000      0.3683000      0.3206000    
 C    1.173800       1.912000      0.2158000    
 C  -0.1988000       1.667800      0.1668000    
 C    2.421200      -2.530000     -0.1973000    
 C    3.992300       1.693100     -0.6930000    
 C    3.804800      -3.137200     -0.2911000    
 C    5.437300       1.251800     -0.7861000    
 C   -2.552700     -0.1395000     -0.8987000    
 C   -5.735800      0.3468000     -0.2805000    
 C   -6.725000      0.1459000      0.8477000    
 H  -0.1744000      -1.697000      0.6514000    
 H    1.534600       2.930700      0.1031000    
 H  -0.8839000       2.497100      1.1000000E-02
 H    1.700400      -3.292000      0.1184000    
 H    2.126600      -2.151400      -1.184000    
 H    3.462300       1.385000      -1.603000    
 H    3.941000       2.783900     -0.6061000    
 H    3.824600      -3.955300      -1.016500    
 H    4.537600      -2.380900     -0.5914000    
 H    4.124800      -3.520700      0.6832000    
 H    5.925700       1.693200      -1.659300    
 H    5.989000       1.544900      0.1132000    
 H    5.502900      0.1612000     -0.8582000    
 H   -1.909400     -0.1497000      -1.797600    
 H   -6.256000      0.2595000      -1.242000    
 H   -5.292200       1.346900     -0.2037000    
 H   -4.153100     -0.6762000      -2.168300    
 H   -7.522700      0.8929000      0.8063000    
 H   -7.172500     -0.8522000      0.7952000    
 H   -6.222900      0.2187000       1.818200    


%chk=000176800-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000176800

0 1
O 2.413508 -1.506584 0.167572
O 3.491920 0.857968 -0.375343
O -4.933080 -0.391007 -0.903437
N -2.120972 0.128263 -0.777875
N -4.257347 0.613440 -1.699470
C 1.515213 -0.502924 -0.214774
C 2.098078 0.773866 -0.509790
C 0.121227 -0.674170 -0.314496
C -0.724548 0.395889 -0.722605
C 1.254573 1.840229 -0.887806
C -0.144544 1.659886 -0.996196
C 1.852240 -2.832139 0.489305
C 4.118998 2.159586 -0.663663
C 3.031456 -3.724256 0.868816
C 5.620023 1.978309 -0.451653
C -2.867746 0.692451 -1.686975
C -5.082460 0.083806 0.508771
C -5.834336 -1.032145 1.230300
H -0.354960 -1.631439 -0.088390
H 1.678047 2.828448 -1.090370
H -0.780991 2.514911 -1.251177
H 1.131590 -2.735821 1.327809
H 1.311439 -3.230302 -0.394314
H 3.892820 2.458711 -1.708871
H 3.706650 2.931601 0.019846
H 2.674569 -4.738885 1.124066
H 3.744321 -3.801611 0.030368
H 3.566465 -3.308976 1.739699
H 6.151038 2.927249 -0.650701
H 5.829185 1.668036 0.586188
H 6.016029 1.203377 -1.129744
H -2.493303 1.331628 -2.513826
H -5.645404 1.037643 0.506171
H -4.072368 0.242576 0.926265
H -4.759409 0.756508 -2.580012
H -5.985259 -0.755252 2.289440
H -6.822658 -1.208276 0.771038
H -5.257706 -1.972093 1.195735


