%chk=000128110.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128110

0 1
 O   -1.985600      -1.716300      0.9543000    
 O   -2.989000     -0.8757000     -0.9863000    
 N   -1.264000       1.650000     -0.6048000    
 N    4.182100      -1.316600     -0.4353000    
 C   -2.315500     -0.5109000      0.2359000    
 C   -1.024200      0.2742000     -0.1191000    
 C   -3.269700      0.3080000       1.109500    
 C   -3.517100       1.688300      0.5136000    
 C   -2.198700       2.409100      0.2353000    
 C  -3.7400000E-02  0.3405000       1.059900    
 C   -2.155100      -2.768400      7.7000000E-03
 C   -3.274300      -2.266600     -0.8579000    
 C   -1.635000       1.702400      -2.016800    
 C    1.360800      0.5930000      0.5815000    
 C    2.244200     -0.4525000      0.2539000    
 C    1.790000       1.918200      0.4597000    
 C    3.530200     -0.1301000     -0.1852000    
 C    2.148100      -1.872200      0.2583000    
 C    3.079300       2.210100      1.8800000E-02
 C    3.975900       1.190300     -0.3127000    
 C    3.355000      -2.374800     -0.1703000    
 H  -0.5231000     -0.2905000     -0.9195000    
 H   -2.857400      0.4090000       2.121500    
 H   -4.227900     -0.2143000       1.220100    
 H   -4.103100       1.598300     -0.4086000    
 H   -4.119300       2.283400       1.209800    
 H   -2.407000       3.385600     -0.2204000    
 H   -1.715800       2.647400       1.190400    
 H  -2.4800001E-02 -0.6047000       1.614700    
 H  -0.3241000       1.085000       1.811900    
 H   -2.383600      -3.710500      0.5117000    
 H   -1.222600      -2.875100     -0.5569000    
 H   -3.313800      -2.746100      -1.838900    
 H   -4.245900      -2.371100     -0.3635000    
 H   -1.648300       2.741200      -2.365800    
 H   -2.616400       1.267700      -2.225600    
 H  -0.8911000       1.184400      -2.632400    
 H    1.126800       2.741300      0.7144000    
 H    1.291000      -2.467300      0.5419000    
 H    3.394700       3.246800     -6.7699999E-02
 H    4.979500       1.418600     -0.6555000    
 H    5.133600      -1.394200     -0.7668000    
 H    3.698000      -3.390200     -0.3104000    


%chk=000128110-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128110

0 1
O -1.806859 -1.765843 0.844022
O -2.919972 -0.831527 -1.037869
N -1.460448 1.789341 -0.568725
N 4.119080 -1.537540 -0.294055
C -2.243768 -0.472553 0.248066
C -1.028869 0.442877 -0.110784
C -3.237426 0.194252 1.208237
C -3.682075 1.566096 0.647425
C -2.433731 2.439089 0.345312
C -0.015918 0.551784 1.078013
C -1.921652 -2.796292 -0.211843
C -3.120312 -2.295905 -1.033008
C -1.800465 1.898550 -2.004825
C 1.406818 0.718894 0.580488
C 2.224942 -0.427351 0.343940
C 1.957348 1.983902 0.286304
C 3.558540 -0.258504 -0.170325
C 2.012005 -1.852394 0.516616
C 3.281200 2.130177 -0.223688
C 4.105903 1.012020 -0.459755
C 3.183183 -2.496741 0.122301
H -0.512956 -0.047368 -0.956728
H -2.741302 0.322867 2.190128
H -4.098328 -0.481725 1.359862
H -4.265489 1.408202 -0.279067
H -4.339673 2.081263 1.374031
H -2.732578 3.403026 -0.105396
H -1.926313 2.676364 1.302731
H -0.093618 -0.364536 1.689127
H -0.298913 1.406031 1.718253
H -2.090657 -3.760317 0.293898
H -0.997271 -2.836180 -0.820728
H -3.121137 -2.627215 -2.083745
H -4.081098 -2.558735 -0.547477
H -1.907990 2.967867 -2.266346
H -2.728140 1.361638 -2.302989
H -0.966762 1.488213 -2.601669
H 1.339224 2.874844 0.441756
H 1.111667 -2.333135 0.896339
H 3.665297 3.134692 -0.434929
H 5.123590 1.130692 -0.848501
H 5.059126 -1.736014 -0.628184
H 3.425200 -3.558105 0.108189


