%chk=000050406.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050406

0 1
 O   -1.396300      0.1920000     -0.1461000    
 O    2.159500     -0.4155000      0.2765000    
 O    3.484200       1.233800     -0.6314000    
 N    4.403500     -0.5841000      0.4350000    
 C   -2.582200     -0.5065000      0.2223000    
 C   -3.800800      0.3122000     -0.2094000    
 C   -2.573800      -1.875700     -0.4442000    
 C  -0.2326000     -0.5102000      0.2647000    
 C   -3.811900       1.702200      0.4131000    
 C   0.9941000      0.2778000     -0.1528000    
 C    3.356400      0.1738000     -2.7799999E-02
 H   -2.609200     -0.6257000       1.313100    
 H   -3.801000      0.4293000      -1.300100    
 H   -4.722100     -0.2138000      6.6200003E-02
 H   -2.257700      -1.813600      -1.491300    
 H   -1.906800      -2.576300      6.8499997E-02
 H   -3.570400      -2.329600     -0.4118000    
 H  -0.2352000     -0.6532000       1.352000    
 H  -0.1521000      -1.494200     -0.2069000    
 H   -2.947600       2.292000      9.2399999E-02
 H   -3.802000       1.641300       1.506100    
 H   -4.715400       2.241900      0.1119000    
 H   0.9647000       1.277600      0.2974000    
 H    1.007100      0.3985000      -1.242900    
 H    4.246600      -1.455700      0.9299000    
 H    5.366200     -0.2958000      0.2965000    


%chk=000050406-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050406

0 1
O -1.380447 -0.031667 -0.347300
O 2.207573 -0.375689 0.314271
O 3.473162 1.371466 -0.641316
N 4.468614 -0.394494 0.547273
C -2.648409 -0.623378 0.144738
C -3.751177 0.378668 -0.242594
C -2.882772 -2.024476 -0.451708
C -0.172408 -0.646749 0.205480
C -3.612780 1.740026 0.468945
C 0.976345 0.273944 -0.202553
C 3.406015 0.302634 0.012353
H -2.589296 -0.695524 1.256772
H -3.711337 0.520189 -1.340369
H -4.733681 -0.077445 -0.009804
H -2.930961 -1.966591 -1.553943
H -2.078157 -2.729777 -0.176017
H -3.836490 -2.444675 -0.081862
H -0.237331 -0.719499 1.312949
H -0.005799 -1.664009 -0.205254
H -2.623114 2.179971 0.258516
H -3.713604 1.630330 1.565787
H -4.388918 2.449350 0.128448
H 0.869738 1.279032 0.240412
H 1.038850 0.376375 -1.299702
H 4.314826 -1.256390 1.064320
H 5.406756 -0.029121 0.413057


