%chk=000134648.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134648

0 1
 O   -2.674800     -0.8773000      -2.529800    
 O  -0.8289000       3.348700     -9.2799999E-02
 O   -3.610500       1.545600      0.3075000    
 O   -4.258300      -1.323700     -0.4951000    
 O   -5.490000       2.474800     -0.6627000    
 N   0.8066000       1.724800     -0.1699000    
 N    3.354600     -0.8111000     -0.2798000    
 N   -2.542200      -1.693700       1.010600    
 C   -1.991700      -1.276000      -1.345100    
 C   -1.101600     -0.1318000     -0.9440000    
 C    1.182800      0.4145000     -0.3999000    
 C    1.966800       2.546300      0.2341000    
 C   -1.504900       1.144100     -0.7369000    
 C    3.080600       1.552200      0.2120000    
 C    2.614600      0.2999000     -0.1619000    
 C   0.2961000     -0.5095000     -0.7731000    
 C  -0.4886000       2.186000     -0.3033000    
 C   -1.221800      -2.579100      -1.613600    
 C   -3.055600      -1.426200     -0.2502000    
 C   -2.901300       1.670200     -0.9100000    
 C    4.418400       1.696400      0.4933000    
 C    5.244800      0.5654000      0.3867000    
 C   -2.099000      -3.734300      -2.088000    
 C    4.668300     -0.6761000     -5.4000001E-03
 C   -3.384800      -1.879400       2.169100    
 C    6.619100      0.6483000      0.6606000    
 C    5.506400      -1.781900     -0.1043000    
 C   -2.674400      -1.389700       3.424400    
 C   -3.796500      -3.340400       2.302200    
 C    7.430000     -0.4781000      0.5521000    
 C    6.873500      -1.692500      0.1695000    
 C   -4.907500       1.989000      0.2973000    
 C   -5.530200       1.794800       1.646600    
 H    1.781600       2.953500       1.232400    
 H    2.101800       3.350800     -0.4949000    
 H   0.6912000      -1.502300     -0.9220000    
 H  -0.7186000      -2.948600     -0.7115000    
 H  -0.4830000      -2.433700      -2.413000    
 H   -3.443200       1.147900      -1.702100    
 H   -2.881700       2.723100      -1.217700    
 H    4.816300       2.662300      0.7890000    
 H   -2.564800      -3.517200      -3.053900    
 H   -2.887500      -3.963700      -1.365000    
 H   -1.490700      -4.636400      -2.214100    
 H   -3.362600      -1.534400      -2.728100    
 H   -1.542400      -1.831000       1.123600    
 H   -4.292200      -1.280300       2.031800    
 H    7.068600       1.592500      0.9609000    
 H    5.097700      -2.746000     -0.4017000    
 H   -1.752900      -1.953800       3.606800    
 H   -2.400100     -0.3335000       3.326400    
 H   -3.317700      -1.492600       4.304300    
 H   -4.335500      -3.678400       1.410300    
 H   -4.451500      -3.485600       3.167500    
 H   -2.921700      -3.989200       2.422500    
 H    8.492300     -0.4077000      0.7652000    
 H    7.501300      -2.574700      8.3099999E-02
 H   -6.474200       2.345400       1.692200    
 H   -5.727100      0.7335000       1.812200    
 H   -4.869600       2.188700       2.423500    


%chk=000134648-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000134648

0 1
O -3.186134 -0.437246 -2.250596
O -0.520539 3.600899 -0.217052
O -3.695596 1.499614 0.169654
O -4.331826 -1.570598 -0.153033
O -5.528055 2.173189 -1.111275
N 0.906601 1.769992 -0.210049
N 3.293015 -0.925473 -0.138518
N -2.362200 -1.762553 1.085479
C -2.240338 -1.022463 -1.310409
C -1.154135 0.015929 -0.939563
C 1.188441 0.419776 -0.369867
C 2.096691 2.579442 0.164345
C -1.438129 1.387043 -0.753559
C 3.184316 1.527077 0.224204
C 2.620783 0.235757 -0.098890
C 0.188318 -0.467170 -0.732098
C -0.375635 2.344473 -0.385731
C -1.648868 -2.319396 -1.967648
C -3.065181 -1.457090 -0.043877
C -2.791769 2.029219 -0.913187
C 4.536358 1.610703 0.521472
C 5.315110 0.401471 0.492954
C -2.731778 -3.285635 -2.485618
C 4.650649 -0.850950 0.157087
C -2.999441 -2.178556 2.359576
C 6.716500 0.384405 0.782791
C 5.415028 -2.060339 0.126933
C -3.022926 -0.994628 3.354568
C -2.274428 -3.413599 2.933380
C 7.436955 -0.812410 0.745291
C 6.781743 -2.041782 0.415249
C -5.070023 1.645618 -0.072993
C -5.875766 1.066484 1.068515
H 1.912270 3.095601 1.124539
H 2.266852 3.363921 -0.595999
H 0.469282 -1.507914 -0.888442
H -1.004221 -2.854260 -1.244239
H -1.009902 -1.997056 -2.811543
H -3.249412 1.798228 -1.886029
H -2.702767 3.117248 -0.766723
H 5.019687 2.561691 0.773265
H -3.358554 -2.792044 -3.246797
H -3.393109 -3.641147 -1.675566
H -2.257457 -4.168217 -2.951188
H -4.096942 -0.702776 -1.921769
H -1.359841 -1.550561 1.104740
H -4.036997 -2.447354 2.092888
H 7.218887 1.326123 1.034696
H 4.889868 -2.985205 -0.129816
H -1.996621 -0.706290 3.651805
H -3.509127 -0.115378 2.899003
H -3.576014 -1.272477 4.270025
H -2.292027 -4.252486 2.215976
H -2.765109 -3.742682 3.866514
H -1.218865 -3.181438 3.174131
H 8.509208 -0.814918 0.968348
H 7.360581 -2.971208 0.389202
H -6.932532 1.348044 0.952782
H -5.779924 -0.034158 1.042230
H -5.491151 1.424312 2.038336


