%chk=000177934.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177934

0 1
 O    2.400100       3.001400      0.2004000    
 O    5.302300     -0.8302000     -0.2306000    
 O    6.621800      -2.687500     -0.4247000    
 N   -5.529100     -0.4590000     -0.7908000    
 N   -1.639200       1.440600     -0.5157000    
 N   -7.167200     -0.8755000       2.378700    
 C   0.4917000       1.856100      0.5271000    
 C    1.545200      0.9174000      0.3656000    
 C  -0.9340000       1.557400      0.7637000    
 C    2.695700       1.671500      0.1679000    
 C   -3.782800       1.079600      -1.639100    
 C   -5.279000      0.7988000      -1.484200    
 C   -3.048100       1.156500     -0.2995000    
 C    1.063000       3.102700      0.4186000    
 C    3.958900       1.126300     -3.2900002E-02
 C    2.904500      -1.095400      0.1666000    
 C    1.649200     -0.4889000      0.3654000    
 C    4.019100     -0.2729000     -2.6300000E-02
 C   -6.965200     -0.6595000     -0.5881000    
 C   -7.260600      -1.950900      0.1780000    
 C    3.096600      -2.554100      0.1524000    
 C   0.5235000       4.468800      0.4901000    
 C   -4.960600      -1.582000      -1.538500    
 C    5.172400       1.965200     -0.2429000    
 C   -6.637800      -1.972000       1.575000    
 C    4.326600      -3.048800     -4.4000000E-02
 C    1.922000      -3.466100      0.3564000    
 C    5.511000      -2.199700     -0.2488000    
 H   -1.381700       2.356000       1.368400    
 H   -1.030400      0.6281000       1.338600    
 H   -3.300000      0.3654000      -2.315300    
 H   -3.684700       2.052100      -2.141900    
 H   -5.748700      0.8059000      -2.476600    
 H   -5.723000       1.626900     -0.9168000    
 H   -3.152200      0.2105000      0.2441000    
 H   -3.504000       1.945700      0.3105000    
 H   -1.224100      0.6902000      -1.068400    
 H   0.7521000      -1.081600      0.5184000    
 H   -7.387700      0.1932000     -4.2700000E-02
 H   -7.490000     -0.6986000      -1.552300    
 H   -6.969000      -2.846400     -0.3798000    
 H   -8.351800      -2.034800      0.2796000    
 H    1.241200       5.203100      0.1107000    
 H   0.2853000       4.730500       1.525600    
 H  -0.3906000       4.556800     -0.1052000    
 H   -3.879400      -1.487900      -1.673800    
 H   -5.420700      -1.698400      -2.526700    
 H   -5.052200      -2.528900     -0.9992000    
 H    5.620700       1.748700      -1.218100    
 H    4.939600       3.034500     -0.2164000    
 H    5.911500       1.768400      0.5407000    
 H   -6.880500      -2.922000       2.063700    
 H   -5.546700      -1.901000       1.526300    
 H    4.501300      -4.120500     -5.9900001E-02
 H    1.170100      -3.313300     -0.4252000    
 H    1.459300      -3.292100       1.333800    
 H    2.213000      -4.522000      0.3213000    
 H   -6.795700     -0.9410000       3.325500    
 H   -8.178900     -0.9670000       2.462000    


%chk=000177934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177934

0 1
O 2.324512 2.766855 -0.232439
O 5.724422 -0.694038 0.096062
O 7.341743 -2.329372 0.246902
N -5.976542 -0.181293 -1.029062
N -1.884973 1.477549 -0.472054
N -7.038567 -1.161612 2.504087
C 0.503400 1.400342 0.222383
C 1.715419 0.584918 0.259845
C -0.902542 0.906295 0.480188
C 2.807896 1.463411 -0.024776
C -4.227021 1.642348 -1.290618
C -5.709579 1.279776 -1.055277
C -3.279785 1.024709 -0.246129
C 0.898985 2.696029 -0.068100
C 4.155725 1.086543 -0.090259
C 3.331735 -1.231623 0.449863
C 1.985303 -0.774565 0.499666
C 4.380836 -0.292912 0.156479
C -7.316062 -0.505226 -0.467141
C -7.374576 -1.916592 0.154950
C 3.707068 -2.626033 0.685192
C 0.172959 3.988339 -0.224831
C -5.747650 -0.820168 -2.340812
C 5.280068 2.048338 -0.394159
C -6.502649 -2.022476 1.425609
C 5.036667 -2.996730 0.619578
C 2.640810 -3.653625 0.997295
C 6.123545 -2.071762 0.324202
H -1.229149 1.193642 1.501016
H -0.894773 -0.213207 0.468457
H -3.910011 1.335724 -2.308917
H -4.128101 2.744636 -1.254926
H -6.329654 1.797364 -1.834343
H -6.019835 1.687250 -0.074243
H -3.387461 -0.085859 -0.263532
H -3.588243 1.354909 0.766509
H -1.588007 1.309564 -1.445086
H 1.177216 -1.476593 0.723937
H -7.529853 0.211569 0.346599
H -8.119389 -0.395021 -1.239302
H -7.047019 -2.684361 -0.573663
H -8.429644 -2.152600 0.406848
H 0.424285 4.471903 -1.186989
H 0.440768 4.699064 0.579768
H -0.910033 3.786427 -0.197698
H -4.695588 -0.700525 -2.653586
H -6.398821 -0.395638 -3.148055
H -5.950958 -1.902522 -2.274235
H 5.831277 1.735018 -1.298692
H 4.891878 3.067445 -0.546462
H 6.016587 2.063069 0.428789
H -6.411624 -3.096430 1.716650
H -5.490498 -1.658880 1.167882
H 5.345229 -4.031671 0.790909
H 1.906187 -3.727438 0.173486
H 2.079675 -3.381164 1.910920
H 3.083915 -4.650551 1.151639
H -6.369810 -0.950493 3.250461
H -7.937591 -1.481754 2.879917


