%chk=000168364.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168364

0 1
 O    2.155800     -0.2027000     -0.9888000    
 O    4.385300       1.546100      0.1700000    
 O    2.814800      -2.896600     -0.5859000    
 O  -0.5172000       2.826100     -0.4130000    
 N   0.1070000      0.6173000     -0.2110000    
 N   -2.177900       1.305300     -0.1452000    
 N   -3.898500     -0.2131000      0.1263000    
 C    3.575100      0.5330000      0.7620000    
 C    1.508800      0.8941000     -0.3280000    
 C    2.188300       1.075700       1.019400    
 C    3.327100     -0.5843000     -0.2417000    
 C    3.042600      -1.925300      0.4222000    
 C  -0.2774000     -0.6926000     -4.3499999E-02
 C  -0.8443000       1.647400     -0.2646000    
 C   -1.557300      -1.056600      7.5499997E-02
 C   -2.553000      6.1099999E-02  1.4100000E-02
 C   -2.007400      -2.468100      0.2585000    
 C   -4.534900     -0.2232000       1.420800    
 C   -4.736800     -0.2438000      -1.047100    
 H    4.083200      0.1928000       1.669200    
 H    1.664300       1.782900     -0.9511000    
 H    1.695800      0.4763000       1.794600    
 H    2.169200       2.121900       1.340800    
 H    4.146200     -0.6860000     -0.9623000    
 H    2.181400      -1.899100       1.093500    
 H    3.913300      -2.243600       1.005500    
 H   0.4790000      -1.458600     -1.5500000E-02
 H    4.471300       2.265500      0.8186000    
 H    2.650700      -3.742900     -0.1361000    
 H   -2.682000      -2.764300     -0.5512000    
 H   -2.532700      -2.584500       1.211600    
 H   -1.165000      -3.168100      0.2584000    
 H   -5.008200      0.7439000       1.618800    
 H   -3.813500     -0.4188000       2.221800    
 H   -5.302900      -1.001900       1.472400    
 H   -5.562200     -0.9525000     -0.9226000    
 H   -4.169400     -0.5528000      -1.931800    
 H   -5.158800      0.7479000      -1.239300    


%chk=000168364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168364

0 1
O 2.344728 -0.575799 -0.984011
O 4.698231 1.213823 -0.338594
O 2.432684 -2.885480 0.702837
O -0.278129 2.622995 -0.678524
N 0.162898 0.338084 -0.491815
N -2.074239 1.168649 -0.208869
N -3.880207 -0.219397 0.240277
C 3.636627 0.726300 0.552591
C 1.595433 0.662350 -0.803388
C 2.286112 1.452877 0.342570
C 3.336487 -0.719246 0.110527
C 2.807946 -1.581752 1.265494
C -0.291831 -0.957177 -0.385281
C -0.753464 1.461010 -0.476058
C -1.628040 -1.259625 -0.150617
C -2.517067 -0.102062 -0.018987
C -2.055119 -2.718639 -0.218616
C -4.489735 -1.313262 1.013834
C -4.748814 0.961027 0.065428
H 3.971214 0.783182 1.609885
H 1.601491 1.217420 -1.755543
H 1.670071 1.404881 1.257354
H 2.395782 2.515839 0.077218
H 4.220339 -1.193082 -0.345414
H 1.933622 -1.097244 1.751609
H 3.620174 -1.688853 2.016723
H 0.466645 -1.733720 -0.532066
H 4.746943 2.200924 -0.276165
H 2.214939 -3.509184 1.440072
H -3.001384 -2.834919 -0.776437
H -2.193423 -3.190405 0.773342
H -1.284542 -3.305192 -0.748620
H -5.084261 -0.880969 1.842615
H -3.724305 -1.960571 1.459987
H -5.168715 -1.933056 0.395855
H -5.754767 0.619096 -0.241181
H -4.318090 1.624311 -0.696786
H -4.836435 1.544763 1.004052


