%chk=000158329.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158329

1 1
 O    4.878300      -1.473000     -7.7900000E-02
 O    6.178000      0.5465000      7.5400002E-02
 O   -4.487500       2.015700      0.1266000    
 O   -5.766500     -0.4397000     -6.5300003E-02
 N   0.5499000      -1.440200     -0.1028000    
 C  -0.1212000     -0.2335000     -1.8400000E-02
 C   0.6727000      0.9464000      7.2400004E-02
 C    2.070200      0.9109000      7.7900000E-02
 C    2.696800     -0.3379000     -9.2000002E-03
 C   -1.564600     -0.2441000     -2.7300000E-02
 C    1.907400      -1.484900     -9.7599998E-02
 C   -2.246100      -1.476900     -0.1226000    
 C    4.090700     -0.3615000     -2.6000000E-03
 C  -0.1352000      -2.603900     -0.1928000    
 C    2.853900       2.088100      0.1680000    
 C    4.839300      0.7903000      8.5100003E-02
 C   -1.515200      -2.652800     -0.2051000    
 C   9.4800003E-02   2.328000      0.1674000    
 C   -2.369400      0.9197000      5.5199999E-02
 C    4.249800       2.031900      0.1718000    
 C   -3.651300      -1.526500     -0.1347000    
 C   -3.766200      0.8625000      4.3400001E-02
 C   -4.407700     -0.3624000     -5.1899999E-02
 C    6.195100     -0.8900000     -2.9300001E-02
 C   -4.824000       2.658900      -1.100800    
 C   -6.421900     -0.5715000       1.195200    
 H    2.358600      -2.471500     -0.1670000    
 H   0.4458000      -3.519800     -0.2567000    
 H    2.486400       3.100700      0.2438000    
 H   -2.007200      -3.619400     -0.2795000    
 H  -0.4675000       2.421100       1.103200    
 H   0.7361000       3.200400      0.2142000    
 H  -0.4762000       2.541100     -0.7434000    
 H   -2.039400       1.932900      0.1429000    
 H    4.844000       2.936100      0.2419000    
 H   -4.164200      -2.484400     -0.2098000    
 H    6.736800      -1.169700     -0.9402000    
 H    6.728400      -1.299200      0.8363000    
 H   -5.436700       2.001300      -1.725500    
 H   -3.918300       2.953500      -1.640400    
 H   -5.401100       3.558300     -0.8692000    
 H   -6.112200      -1.495700       1.693300    
 H   -7.500000     -0.6137000       1.017800    
 H   -6.205600      0.2907000       1.833900    


%chk=000158329-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158329

1 1
O 4.995815 -1.417662 -0.597375
O 6.313770 0.571219 -0.284817
O -4.408273 2.031961 -0.433673
O -5.784575 -0.559857 0.012163
N 0.643838 -1.438454 -0.052124
C -0.057860 -0.202295 0.172409
C 0.721155 0.950112 0.489305
C 2.150168 0.934474 0.320202
C 2.786876 -0.324916 -0.064901
C -1.522288 -0.254736 0.066356
C 2.009279 -1.481285 -0.181923
C -2.202626 -1.528461 0.085489
C 4.193829 -0.324654 -0.239007
C -0.053393 -2.677292 -0.077384
C 2.974394 2.095064 0.505604
C 4.953564 0.828301 -0.055536
C -1.412337 -2.733648 0.044111
C 0.092277 2.196501 1.086827
C -2.324428 0.902676 -0.137994
C 4.365830 2.059451 0.315252
C -3.618883 -1.589693 0.079639
C -3.727150 0.833264 -0.205838
C -4.397294 -0.425192 -0.004019
C 6.398522 -0.875116 -0.648167
C -5.341001 2.065217 -1.597670
C -6.527196 0.251154 1.019626
H 2.459728 -2.459818 -0.359822
H 0.577986 -3.560355 -0.185977
H 2.516422 3.048688 0.774317
H -1.901143 -3.711590 0.050881
H -0.875358 1.981758 1.561751
H 0.753903 2.604007 1.869093
H -0.063485 2.998264 0.340289
H -1.888547 1.882287 -0.332356
H 4.981873 2.952631 0.444308
H -4.133794 -2.553512 0.145138
H 6.777016 -0.969087 -1.678104
H 7.009839 -1.402236 0.100833
H -6.071341 1.239731 -1.554247
H -4.756500 2.005427 -2.532744
H -5.846018 3.038540 -1.527421
H -6.318757 -0.146800 2.028242
H -7.588046 0.111557 0.769835
H -6.247989 1.317174 0.965127


