%chk=000097559.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097559

0 1
 O   -1.183700       2.762900     -9.9600002E-02
 O   -5.229900     -0.3888000      0.6139000    
 O   -4.263100      -2.166800     -0.4776000    
 O    5.321300      0.5577000      9.8000001E-03
 O    4.992900      -1.611900      7.5599998E-02
 N  -0.9857000      0.4011000     -2.5900001E-02
 N   -1.828000     -0.6857000      2.2000000E-03
 N    4.555700     -0.4364000      3.5300002E-02
 C   -3.109100       1.278200     -6.6299997E-02
 C   0.3936000      0.1925000     -1.1800000E-02
 C   -1.647600       1.635500     -6.7900002E-02
 C   -3.024800     -0.2033000     -2.0199999E-02
 C    1.263900       1.282100     -4.0800001E-02
 C   0.9024000      -1.105600      3.2400001E-02
 C    2.643000       1.073700     -2.5900001E-02
 C    2.281600      -1.314100      4.7400001E-02
 C    3.151900     -0.2243000      1.8300001E-02
 C   -4.234400      -1.046900      1.1000000E-03
 H   -3.590900       1.614700     -0.9859000    
 H   -3.594300       1.679600      0.8253000    
 H   0.9478000       2.315100     -7.5499997E-02
 H   0.2575000      -1.979800      5.6299999E-02
 H    3.292000       1.945600     -4.9300000E-02
 H    2.642500      -2.338900      8.2400002E-02
 H   -6.055900     -0.9167000      0.6518000    


%chk=000097559-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097559

0 1
O -1.197394 2.869187 -0.057514
O -5.425159 -0.407631 0.108491
O -4.174000 -2.383597 0.150316
O 5.437905 0.516254 -0.066542
O 5.038861 -1.729965 0.003604
N -0.977964 0.475890 0.018601
N -1.836669 -0.641189 0.066279
N 4.641560 -0.500629 -0.026643
C -3.173181 1.313149 0.018578
C 0.430472 0.247620 0.006976
C -1.698970 1.724766 -0.013457
C -3.084691 -0.188579 0.067109
C 1.337586 1.341591 -0.036330
C 0.909490 -1.090563 0.039461
C 2.720898 1.090598 -0.047191
C 2.291080 -1.336123 0.028504
C 3.184108 -0.241916 -0.014802
C -4.220522 -1.136940 0.113056
H -3.710236 1.685870 -0.871425
H -3.688464 1.744054 0.895078
H 0.961930 2.365732 -0.061338
H 0.194425 -1.914777 0.072803
H 3.442958 1.910352 -0.080317
H 2.687818 -2.354125 0.052746
H -6.193142 -1.039528 0.139060


