%chk=000141476.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000141476

0 1
 O    3.716000      -2.504000      0.4296000    
 O   -5.245500     -0.8600000     -0.6287000    
 O   -5.218900       1.065100      0.4259000    
 N   -4.625400      7.8299999E-02 -7.2499998E-02
 C    3.266900       1.053500     -0.2698000    
 C    1.806300       1.164700      0.2233000    
 C    3.958600     -0.1194000      0.4437000    
 C    1.058300     -0.1486000      0.1984000    
 C    3.313200      0.8557000      -1.799800    
 C    4.012300       2.358800      6.3400000E-02
 C    3.165500      -1.405900      0.3602000    
 C    1.686400      -1.334500      0.2572000    
 C  -0.4221000     -8.9299999E-02  0.1275000    
 C   -1.134500      -1.121200     -0.4853000    
 C   -1.105200      0.9980000      0.6742000    
 C   -2.526600      -1.065900     -0.5512000    
 C   -2.497400       1.053400      0.6083000    
 C   -3.208100      2.1400001E-02 -4.4999998E-03
 H    1.292500       1.908100     -0.4008000    
 H    1.793500       1.546400       1.253400    
 H    4.100400      0.1010000       1.509000    
 H    4.947700     -0.2974000      4.3000001E-03
 H    2.804100     -5.9099998E-02  -2.118800    
 H    2.834800       1.694800      -2.317900    
 H    4.348100      0.7953000      -2.155800    
 H    5.055400       2.314600     -0.2695000    
 H    3.540800       3.219200     -0.4246000    
 H    4.016700       2.550000       1.142400    
 H    1.173900      -2.289900      0.2701000    
 H  -0.6423000      -1.972600     -0.9474000    
 H  -0.5861000       1.812200       1.172300    
 H   -3.047400      -1.884700      -1.041300    
 H   -2.995200       1.914000       1.047700    


%chk=000141476-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000141476

0 1
O 3.785951 -2.572983 0.243519
O -5.356937 -0.958622 -0.507496
O -5.307663 1.135482 0.398251
N -4.727272 0.066063 -0.036205
C 3.309606 1.073887 -0.258860
C 1.833223 1.169480 0.231072
C 3.985807 -0.139478 0.439136
C 1.061196 -0.144999 0.162516
C 3.357472 0.899041 -1.800649
C 4.055875 2.374528 0.126447
C 3.208128 -1.442572 0.273194
C 1.735692 -1.344760 0.190326
C -0.423553 -0.096843 0.099661
C -1.184069 -1.189286 -0.416029
C -1.129710 1.055306 0.556281
C -2.586280 -1.144841 -0.464043
C -2.533850 1.115337 0.522511
C -3.246746 0.010362 0.011151
H 1.308391 1.946276 -0.357705
H 1.832678 1.525350 1.284762
H 4.061179 0.060487 1.529828
H 5.015704 -0.296249 0.071435
H 2.818722 -0.005107 -2.135432
H 2.905517 1.772274 -2.306698
H 4.404227 0.812773 -2.145095
H 5.105911 2.338836 -0.217467
H 3.580435 3.258377 -0.339174
H 4.063145 2.527160 1.222322
H 1.209238 -2.305989 0.176739
H -0.668830 -2.070428 -0.809997
H -0.576503 1.906806 0.962539
H -3.176380 -1.973069 -0.864435
H -3.083605 1.989400 0.880594


