%chk=000142974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000142974

0 1
 O   -2.422400      -1.095200      -1.224700    
 O    2.442700      -1.122900       1.229000    
 N   -2.877800      0.8198000      1.5799999E-02
 N    2.893700      0.7919000     -1.3400000E-02
 C   -3.935600       1.236700     -0.9217000    
 C    3.964700       1.201500      0.9123000    
 C   -4.063200       2.752500      -1.029200    
 C    4.101700       2.716400       1.021000    
 C   -4.237000       3.382600      0.3492000    
 C    4.262600       3.348000     -0.3583000    
 C   -1.229100     -0.8672000      0.8101000    
 C    1.226800     -0.8849000     -0.7913000    
 C  -0.5976000      -2.154100      0.3833000    
 C   0.5702000      -2.160700     -0.3776000    
 C   -2.225800     -0.3984000     -0.2245000    
 C    2.238100     -0.4233000      0.2324000    
 C   -2.665100       1.611800       1.136100    
 C    2.672200       1.587000      -1.129800    
 C   -3.290100       2.780200       1.340100    
 C    3.301000       2.752400      -1.339000    
 C   -1.195000      -3.356100      0.7593000    
 C    1.142300      -3.373000     -0.7636000    
 C  -0.6229000      -4.568200      0.3731000    
 C   0.5456000      -4.576700     -0.3884000    
 H   -4.873900      0.7946000     -0.5638000    
 H   -3.739500      0.8161000      -1.914200    
 H    4.896400      0.7549000      0.5426000    
 H    3.778100      0.7801000       1.906300    
 H   -3.156900       3.156700      -1.499200    
 H   -4.906300       3.019800      -1.675800    
 H    3.203100       3.124500       1.502300    
 H    4.953600       2.978000       1.658000    
 H   -4.060700       4.461500      0.2777000    
 H   -5.263300       3.241700      0.7074000    
 H    4.092800       4.427700     -0.2828000    
 H    5.283800       3.202300     -0.7287000    
 H   -1.761700      -1.026200       1.756800    
 H  -0.4775000     -9.7599998E-02   1.007300    
 H    1.752600      -1.047600      -1.741500    
 H   0.4869000     -0.1033000     -0.9862000    
 H   -1.969200       1.259400       1.886400    
 H    1.966500       1.240000      -1.873200    
 H   -3.099300       3.332300       2.255700    
 H    3.102700       3.306900      -2.251600    
 H   -2.106800      -3.365200       1.350600    
 H    2.054000      -3.395800      -1.354800    
 H   -1.087600      -5.505500      0.6649000    
 H   0.9912000      -5.520600     -0.6886000    


%chk=000142974-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000142974

0 1
O -1.740178 -0.464972 -1.527011
O 1.733526 -0.483377 1.525379
N -2.691126 0.885035 0.106871
N 2.698784 0.856404 -0.108561
C -3.348930 1.704841 -0.950037
C 3.364337 1.669968 0.948297
C -3.362821 3.196996 -0.564518
C 3.393410 3.161734 0.562108
C -4.081455 3.410153 0.789547
C 4.114868 3.367072 -0.791686
C -1.308998 -1.081705 0.827343
C 1.296330 -1.095902 -0.828981
C -0.629505 -2.359845 0.358091
C 0.603102 -2.366534 -0.359628
C -1.916839 -0.218992 -0.292972
C 1.912851 -0.239361 0.291333
C -2.917912 1.265398 1.453938
C 2.930141 1.233826 -1.455677
C -3.587480 2.399981 1.806651
C 3.611318 2.361425 -1.808572
C -1.228816 -3.597461 0.697925
C 1.188924 -3.610594 -0.699457
C -0.638534 -4.832181 0.350065
C 0.585226 -4.838817 -0.351663
H -4.385897 1.336793 -1.083975
H -2.804718 1.520303 -1.889511
H 4.397493 1.291614 1.082836
H 2.817810 1.491342 1.887568
H -2.321000 3.562178 -0.492181
H -3.859872 3.769928 -1.368713
H 2.355345 3.537311 0.489011
H 3.895754 3.730026 1.366305
H -3.902033 4.437950 1.160269
H -5.180420 3.321082 0.657808
H 3.945937 4.396444 -1.162970
H 5.212824 3.267054 -0.659362
H -2.111922 -1.355020 1.537608
H -0.579618 -0.475041 1.400350
H 2.096528 -1.377848 -1.538931
H 0.573618 -0.481655 -1.402358
H -2.523552 0.591768 2.216194
H 2.529518 0.563805 -2.217844
H -3.743439 2.595314 2.872838
H 3.769886 2.554605 -2.874767
H -2.177770 -3.592281 1.248521
H 2.137886 -3.615770 -1.250038
H -1.127303 -5.773153 0.626094
H 1.063724 -5.785042 -0.627737


