%chk=000060882.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060882

0 1
 O   -1.205400       2.635300     -0.5997000    
 O    5.153200     -0.9262000      0.3716000    
 N   -1.694400      0.2265000      0.8946000    
 C   0.8382000       1.505000      0.1735000    
 C   -1.210100      0.2137000     -0.5025000    
 C  -0.3856000       1.480600     -0.7774000    
 C   -3.742000     -0.9188000      0.1624000    
 C   0.3225000       1.478400       1.634900    
 C   -2.627500     -0.8552000       1.193100    
 C  -0.6378000      0.3115000       1.904600    
 C  -0.3680000      -1.006100     -0.9268000    
 C   -4.791700      -1.952800      0.3337000    
 C   -3.772700      -2.079800     -0.7605000    
 C    1.694200      0.2504000     -6.9799997E-02
 C    1.099600     -0.9318000     -0.5679000    
 C    1.624300       2.814100     -5.8899999E-02
 C    3.063000      0.2211000      0.2534000    
 C    1.884400      -2.080100     -0.7687000    
 C    3.829100     -0.9293000      5.5000000E-02
 C   -2.315200       2.621500      -1.484100    
 C    3.241700      -2.078000     -0.4604000    
 H   -2.071200      0.2138000      -1.174400    
 H  -2.8000001E-02   1.480300      -1.818100    
 H   -4.105300      4.9600001E-02 -0.1576000    
 H  -0.2006000       2.418300       1.858500    
 H    1.160600       1.419100       2.341500    
 H   -2.116700      -1.821900       1.283200    
 H   -3.097400     -0.6558000       2.164500    
 H  -7.8400001E-02 -0.6295000       1.973200    
 H   -1.087500      0.4725000       2.892500    
 H  -0.4227000      -1.089500      -2.021300    
 H  -0.7892000      -1.933600     -0.5263000    
 H   -5.805900      -1.701400      4.8099998E-02
 H   -4.720600      -2.637500       1.169800    
 H   -3.035900      -2.866800     -0.6617000    
 H   -4.099200      -1.904800      -1.778500    
 H    2.428700       2.947500      0.6724000    
 H    2.071900       2.833400      -1.059200    
 H   0.9797000       3.695200      3.3700000E-02
 H    3.553400       1.093700      0.6756000    
 H    1.434000      -2.986800      -1.166100    
 H   -3.148400       2.056700      -1.059300    
 H   -2.053200       2.252900      -2.481300    
 H   -2.660200       3.654400      -1.593200    
 H    3.826300      -2.979500     -0.6212000    
 H    5.527400      -1.801600      0.1724000    


%chk=000060882-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060882

0 1
O -1.131403 2.617876 -0.681098
O 5.282336 -0.729656 0.525355
N -1.651078 0.096037 0.850483
C 0.858995 1.473755 0.114950
C -1.167108 0.091806 -0.551782
C -0.361047 1.379572 -0.847854
C -3.922525 -0.860219 0.374665
C 0.292863 1.476621 1.575368
C -2.636514 -0.952743 1.187627
C -0.586333 0.246346 1.871243
C -0.276132 -1.120277 -0.969793
C -4.906511 -2.038071 0.397527
C -4.134196 -1.713175 -0.890094
C 1.743269 0.224584 -0.084128
C 1.188543 -1.002373 -0.558193
C 1.630858 2.790474 -0.146442
C 3.113298 0.266934 0.268007
C 2.027556 -2.137348 -0.671197
C 3.930357 -0.875372 0.150617
C -2.331453 2.692832 -1.503239
C 3.392877 -2.094305 -0.324350
H -2.065891 0.067880 -1.193049
H -0.004778 1.323347 -1.904688
H -4.360786 0.145129 0.368107
H -0.311296 2.393036 1.700078
H 1.134493 1.508505 2.293494
H -2.225353 -1.994032 1.090863
H -2.886599 -0.821274 2.259599
H 0.054774 -0.666605 1.950123
H -1.076276 0.379197 2.855384
H -0.335620 -1.225611 -2.073713
H -0.709732 -2.052587 -0.556767
H -5.977866 -1.821193 0.430759
H -4.612356 -2.934573 0.953853
H -3.329093 -2.396067 -1.183047
H -4.685966 -1.279846 -1.729892
H 2.388795 2.979495 0.634772
H 2.144537 2.766154 -1.125326
H 0.920461 3.632739 -0.144976
H 3.574949 1.187197 0.635317
H 1.600215 -3.079442 -1.037415
H -3.125308 2.010928 -1.136640
H -2.113061 2.459869 -2.568647
H -2.686325 3.733512 -1.424401
H 4.021490 -2.989364 -0.419035
H 5.771340 -1.580991 0.404877


