%chk=000161866.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161866

1 1
 O   -3.395700      0.5246000      -1.659200    
 O   -3.191400      -1.821000       1.140500    
 O   -2.664000       2.390500      0.2036000    
 O   -1.560100      -1.699100      -2.099300    
 O    1.277200      -2.632500      -1.209800    
 O    2.973700       2.217900       1.181700    
 O   -3.027300      -4.046300      0.5423000    
 O   -1.541700       2.167100      -1.803300    
 O    5.473200       1.414500      0.8591000    
 N   5.5199999E-02   2.670500       1.380700    
 N   9.7000003E-03   3.642600       1.884100    
 C   -3.457000      0.1312000     -0.2812000    
 C   -3.051000      -1.365000     -0.2053000    
 C   -2.486400       1.019000      0.5498000    
 C   -1.597200      -1.617200     -0.6760000    
 C  -0.6716000     -0.5378000     -0.2246000    
 C   -1.060500      0.6247000      0.3349000    
 C   0.7781000     -0.5288000     -0.2285000    
 C   -4.908200      0.3300000      0.1766000    
 C   0.1153000       1.388800      0.7178000    
 C    1.236800      0.7219000      0.3913000    
 C    1.675300      -1.430300     -0.6628000    
 C    2.642800       1.028200      0.5715000    
 C    3.122800      -1.125000     -0.5364000    
 C    3.560800      0.1373000      0.1290000    
 C   -2.896000      -3.136700       1.350100    
 C   -2.370400       2.716000      -1.089800    
 C    4.079200      -1.938000      -1.029400    
 C    5.027300      0.4259000      0.2873000    
 C   -2.373800      -3.320100       2.742800    
 C   -3.224400       3.867000      -1.527900    
 C    5.488300      -1.654500     -0.9103000    
 C    5.961100     -0.5652000     -0.2990000    
 H   -3.739000      -1.938900     -0.8422000    
 H   -2.710400      0.9205000       1.619100    
 H   -1.219800      -2.568600     -0.2936000    
 H   -5.228700       1.365700      1.7700000E-02
 H   -5.591400     -0.2966000     -0.4080000    
 H   -5.039300      8.8200003E-02   1.236000    
 H   -4.005700     -4.1600000E-02  -2.162100    
 H   -2.119100      -2.449400      -2.364000    
 H    3.827800      -2.864600      -1.537700    
 H   0.3792000      -2.546300      -1.561600    
 H    2.160900       2.697100       1.411600    
 H   -3.134200      -3.017100       3.466800    
 H   -1.460400      -2.734500       2.874900    
 H   -2.137500      -4.375600       2.905600    
 H    6.175700      -2.376900      -1.339000    
 H   -3.016300       4.740400     -0.9049000    
 H   -4.279900       3.590800      -1.464600    
 H   -2.991700       4.115800      -2.567200    
 H    7.025400     -0.3777000     -0.2174000    


%chk=000161866-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161866

1 1
O -2.958518 0.421302 -1.529863
O -3.534283 -2.083251 1.114554
O -2.783282 2.428816 0.458699
O -0.768065 -2.800389 -0.614483
O 1.688640 -2.694080 -0.761092
O 3.288526 2.637454 -0.022954
O -2.770195 -4.153863 0.380483
O -1.477445 2.984064 -1.431582
O 5.805176 1.825180 -0.365583
N 0.291926 2.952092 0.808654
N 0.202488 4.061554 1.180775
C -3.205109 0.054314 -0.123012
C -2.747312 -1.437042 0.011000
C -2.291397 1.049455 0.680370
C -1.226509 -1.695589 0.250453
C -0.358829 -0.483522 0.071643
C -0.834271 0.788250 0.378086
C 1.078203 -0.418806 -0.161283
C -4.684440 0.240238 0.248011
C 0.324485 1.674585 0.411096
C 1.513278 0.929135 0.030155
C 2.029092 -1.422481 -0.518845
C 2.885001 1.324495 -0.150462
C 3.435380 -1.039962 -0.629290
C 3.859977 0.335532 -0.431079
C -3.513265 -3.480651 1.146971
C -2.477476 3.184300 -0.722935
C 4.370696 -2.035212 -0.975122
C 5.307963 0.666162 -0.574050
C -4.468300 -4.048289 2.156539
C -3.506024 4.275185 -0.883384
C 5.762058 -1.739114 -1.135675
C 6.213351 -0.441864 -0.958390
H -3.019750 -1.942236 -0.935407
H -2.498877 0.906275 1.759103
H -1.120891 -2.030052 1.307473
H -4.981560 1.282588 0.049345
H -5.325035 -0.437104 -0.346421
H -4.870536 0.019144 1.310744
H -3.743282 0.172974 -2.083058
H -1.405701 -3.573183 -0.441660
H 4.004388 -3.054573 -1.133973
H 0.618264 -2.862396 -0.734527
H 2.556729 3.295548 -0.139349
H -5.416206 -4.311925 1.650840
H -4.694960 -3.319791 2.948683
H -4.054609 -4.974200 2.584428
H 6.455325 -2.541645 -1.404429
H -3.776771 4.710153 0.092255
H -4.427603 3.850012 -1.321818
H -3.123390 5.053804 -1.559055
H 7.268643 -0.170495 -1.071874


