%chk=000100629.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100629

0 1
 O   -1.876900      -2.714900      0.3512000    
 O   -1.073700       2.516900     -0.2937000    
 O    5.825200      0.5337000      0.1234000    
 N   -4.092000      -1.169700      9.9900000E-02
 N   -3.659000       1.678300     -0.2507000    
 N    1.075600      0.9812000     -4.7499999E-02
 N    3.578800       2.157500     -0.1365000    
 C   -4.383500      -2.181500     -0.9112000    
 C   -5.038100     -0.8418000     -0.9623000    
 C   -3.731500       2.744100      0.7443000    
 C   -4.745200       1.649500      0.7241000    
 C   -2.862300     -0.5705000      5.4000001E-02
 C   -2.661700      0.7520000     -0.1087000    
 C   -1.708400      -1.509400      0.2012000    
 C   -1.279700       1.316700     -0.1468000    
 C  -0.3512000     -0.9512000      0.1637000    
 C  -0.1460000      0.3990000     -3.3000000E-03
 C   0.7706000      -1.764000      0.2952000    
 C    2.053500      -1.199000      0.2545000    
 C    2.161200      0.1961000      7.9099998E-02
 C    3.435000      0.7561000      3.8300000E-02
 C    3.209500      -1.987800      0.3833000    
 C    4.584000     -2.8200001E-02  0.1661000    
 C    4.471500      -1.402000      0.3390000    
 C    6.444400      0.6389000      -1.156700    
 H   -4.947000      -3.017100     -0.5235000    
 H   -3.615600      -2.393400      -1.641800    
 H   -4.725900     -0.1862000      -1.762600    
 H   -6.058800     -0.7608000     -0.6185000    
 H   -2.999100       2.735800       1.539200    
 H   -3.996500       3.701300      0.3205000    
 H   -5.713500       1.860600      0.2947000    
 H   -4.702800      0.9419000       1.539600    
 H   0.6594000      -2.837900      0.4293000    
 H    3.133100      -3.064300      0.5191000    
 H    5.357600      -2.022000      0.4403000    
 H    4.500300       2.573700     -0.1453000    
 H    2.755800       2.738600     -0.2258000    
 H    5.824300       1.222200      -1.844700    
 H    6.630400     -0.3563000      -1.572800    
 H    7.403000       1.149900      -1.032300    


%chk=000100629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100629

0 1
O -1.840548 -2.787544 0.065635
O -1.258759 2.710089 -0.181617
O 5.799117 0.944113 -0.377631
N -4.144563 -1.168531 0.069425
N -3.829055 1.625680 0.035757
N 1.040665 1.114982 -0.203040
N 3.475782 2.351305 -0.360321
C -4.614303 -2.348899 -0.700138
C -5.238078 -0.971103 -0.935488
C -3.971731 2.871392 0.829857
C -4.867556 1.661953 1.113039
C -2.863545 -0.605263 -0.011513
C -2.704288 0.793704 0.015582
C -1.696524 -1.516012 0.002482
C -1.369934 1.443023 -0.104790
C -0.343407 -0.899077 -0.056792
C -0.172654 0.535096 -0.129216
C 0.793892 -1.714840 -0.058909
C 2.098329 -1.136713 -0.133726
C 2.160059 0.310967 -0.207827
C 3.431748 0.982188 -0.289228
C 3.306864 -1.887987 -0.141278
C 4.613907 0.188439 -0.294128
C 4.546593 -1.226372 -0.220204
C 7.070108 0.217636 -0.390687
H -5.158071 -3.098007 -0.116941
H -3.949116 -2.756923 -1.467347
H -4.982685 -0.443049 -1.861336
H -6.225300 -0.743928 -0.521526
H -3.181637 3.113481 1.547335
H -4.375549 3.728789 0.283337
H -5.906491 1.663931 0.769287
H -4.672640 1.078138 2.019849
H 0.659119 -2.800683 -0.004811
H 3.268167 -2.980572 -0.084942
H 5.468391 -1.816494 -0.224061
H 4.367386 2.834153 -0.420531
H 2.582447 2.846779 -0.352361
H 7.134563 -0.458454 -1.264849
H 7.207748 -0.362683 0.541963
H 7.846349 0.993297 -0.463008


