%chk=000178135.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178135

0 1
 O   0.5755000      -1.896800     -4.9100000E-02
 O    10.84420      0.2979000      0.3455000    
 N   -3.508900     -0.8498000     -0.3976000    
 N    1.190800      0.3489000     -0.3571000    
 N    7.549600       1.018900     -0.7556000    
 N    8.900300      0.9690000     -0.6688000    
 C   -6.252900     -0.3445000      0.5011000    
 C   -5.911400      -1.431100     -0.5303000    
 C   -5.179200      0.7544000      0.4760000    
 C   -4.483500      -1.947600     -0.3350000    
 C   -3.777600      0.1595000      0.6358000    
 C   -7.650100      0.2130000      0.3088000    
 C   -2.146900      -1.367200     -0.2652000    
 C   -1.134500     -0.2326000     -0.3858000    
 C   -8.401100      0.6037000       1.415900    
 C   -8.179900      0.3331000     -0.9745000    
 C   0.3023000     -0.7165000     -0.2407000    
 C   -9.686400       1.116000       1.239000    
 C   -9.465100      0.8456000      -1.151500    
 C   -10.21830       1.237000     -4.4599999E-02
 C    2.603200      0.3066000     -0.2799000    
 C    5.367500      0.2253000     -0.1286000    
 C    3.234500     -0.9071000     -6.4900003E-02
 C    3.324200       1.480600     -0.4209000    
 C    7.503900     -0.8756000      0.8144000    
 C    6.854100      0.1819000     -4.8400000E-02
 C    4.626700     -0.9482000      1.1400000E-02
 C    4.716400       1.439700     -0.3448000    
 C    8.788300     -0.3256000       1.389000    
 C    9.614300      0.3116000      0.3065000    
 H   -6.221800     -0.8265000       1.489300    
 H   -6.617300      -2.267200     -0.4531000    
 H   -5.968900      -1.055300      -1.557800    
 H   -5.361300       1.478000       1.280400    
 H   -5.235000       1.315500     -0.4668000    
 H   -4.413100      -2.479900      0.6229000    
 H   -4.273400      -2.676500      -1.127400    
 H   -3.110900       1.021500      0.5571000    
 H   -3.664300     -0.2630000       1.642600    
 H   -1.950700      -2.098600      -1.059600    
 H   -2.013400      -1.890700      0.6910000    
 H   -1.235900      0.2735000      -1.353600    
 H   -1.245300      0.5102000      0.4101000    
 H   -7.997100      0.5167000       2.421000    
 H   -7.625300      7.1599998E-02  -1.868000    
 H   -10.27260       1.421800       2.100700    
 H   -9.877400      0.9466000      -2.151300    
 H   -11.21840       1.637600     -0.1825000    
 H   0.7951000       1.272900     -0.5173000    
 H    6.842900      -1.186700       1.629000    
 H    7.709900      -1.745200      0.1791000    
 H    2.732800      -1.856500      4.9100000E-02
 H    2.826700       2.431900     -0.5880000    
 H    9.365000      -1.127200       1.861700    
 H    8.579000      0.4417000       2.143300    
 H    5.109000      -1.909800      0.1635000    
 H    5.273600       2.366900     -0.4498000    
 H    9.385600       1.501600      -1.383700    


%chk=000178135-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178135

0 1
O 0.551794 -1.770906 -0.298410
O 11.163197 0.359729 0.194424
N -3.544121 -0.631972 0.133658
N 1.271606 0.453626 -0.089201
N 7.661318 1.318550 -0.140811
N 9.064975 1.283896 -0.164618
C -6.443083 -0.178352 0.600569
C -5.886910 -1.479892 -0.040811
C -5.444703 0.979086 0.321436
C -4.452149 -1.767799 0.442065
C -4.021575 0.613063 0.786888
C -7.860557 0.146695 0.135903
C -2.133823 -0.952895 0.455040
C -1.144796 0.008848 -0.237760
C -8.930587 0.210383 1.064650
C -8.146218 0.393870 -1.233834
C 0.288979 -0.535657 -0.203901
C -10.246628 0.512025 0.644428
C -9.458272 0.695396 -1.659253
C -10.515830 0.756306 -0.721220
C 2.685944 0.314229 -0.090381
C 5.545933 0.197451 -0.067785
C 3.348323 -0.936308 -0.198339
C 3.463163 1.503014 0.026018
C 7.790556 -1.166413 -0.067629
C 7.025403 0.152846 -0.073034
C 4.756619 -0.979365 -0.184354
C 4.861964 1.445269 0.035923
C 9.154927 -1.021748 0.645887
C 9.906461 0.226274 0.198617
H -6.470864 -0.335294 1.700337
H -6.542444 -2.335790 0.209015
H -5.878453 -1.376392 -1.142505
H -5.779571 1.900138 0.835766
H -5.421157 1.192815 -0.764091
H -4.472643 -1.981133 1.544561
H -4.060037 -2.671717 -0.059766
H -3.332103 1.439654 0.535683
H -4.014586 0.503978 1.905601
H -1.912297 -1.970010 0.086085
H -1.942583 -0.958023 1.559073
H -1.459382 0.096758 -1.296953
H -1.188388 1.023849 0.201689
H -8.729173 0.021449 2.126878
H -7.338769 0.349733 -1.974937
H -11.058309 0.555846 1.379784
H -9.658055 0.882347 -2.720762
H -11.534330 0.990115 -1.051102
H 0.928035 1.413787 -0.007892
H 7.205384 -1.965799 0.414946
H 7.950229 -1.479291 -1.120891
H 2.756493 -1.848169 -0.290993
H 2.961072 2.475949 0.110724
H 9.801062 -1.896465 0.469231
H 9.007767 -0.940930 1.741491
H 5.236001 -1.959088 -0.279947
H 5.456308 2.358973 0.123025
H 9.496387 2.188462 -0.366214


