%chk=000111536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111536

0 1
 O   -2.282300     -0.8310000      0.3535000    
 O   -5.082700     -0.8245000      0.3307000    
 O    3.937200       1.058400     -0.1818000    
 N  -0.7698000       1.520600      3.2800000E-02
 N    3.248300      -1.176700      8.1500001E-02
 C  -0.1539000      0.2537000      0.1270000    
 C   -1.601900       2.012500       1.112000    
 C  -0.5882000       2.337400      -1.149700    
 C  -0.9224000     -0.8994000      0.2864000    
 C    1.236100      0.1614000      5.8800001E-02
 C    1.857800      -1.083900      0.1499000    
 C  -0.3009000      -2.144800      0.3778000    
 C  -0.7580000       2.770400       2.118500    
 C   -1.656600       2.014500      -2.176600    
 C    1.089200      -2.237000      0.3094000    
 C   -3.015900      -1.539700     -0.6427000    
 C    4.181200     -0.1389000     -7.5199999E-02
 C   -4.336800     -0.8337000     -0.8805000    
 C    5.603800     -0.6779000     -0.1005000    
 C    6.640900      0.4122000     -0.3031000    
 C   -6.325000     -0.1537000      0.1720000    
 H   -2.375000       2.682900      0.7172000    
 H   -2.136200       1.212900       1.634500    
 H  -0.6525000       3.400700     -0.8886000    
 H   0.4020000       2.195500      -1.597500    
 H    1.781100       1.088800     -4.7699999E-02
 H  -0.8851000      -3.051200      0.5108000    
 H  -1.7000000E-03   2.120700       2.571600    
 H  -0.2377000       3.611800       1.648800    
 H   -1.387900       3.167000       2.921000    
 H   -1.604600      0.9663000      -2.489100    
 H   -2.659800       2.196100      -1.777300    
 H   -1.528900       2.639300      -3.066300    
 H    1.560300      -3.213900      0.3838000    
 H    3.623700      -2.119900      0.1560000    
 H   -3.196300      -2.556100     -0.2752000    
 H   -2.455600      -1.589400      -1.584500    
 H   -4.903300      -1.353600      -1.660700    
 H   -4.154000      0.2007000      -1.192000    
 H    5.682200      -1.412600     -0.9099000    
 H    5.794200      -1.194800      0.8469000    
 H    6.479300      0.9374000      -1.250200    
 H    7.647400     -1.7200001E-02 -0.3176000    
 H    6.596300       1.152000      0.5028000    
 H   -6.163400      0.8919000     -0.1074000    
 H   -6.938600     -0.6554000     -0.5826000    
 H   -6.855500     -0.1811000       1.127500    


%chk=000111536-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111536

0 1
O -2.350604 -0.801355 -0.379412
O -5.075028 -0.923247 0.765225
O 4.018098 1.062134 -0.155324
N -0.819253 1.555608 -0.554167
N 3.281948 -1.147983 0.162654
C -0.197200 0.312668 -0.279053
C -1.980998 1.980859 0.276463
C 0.045061 2.644349 -1.074209
C -0.959918 -0.906137 -0.168846
C 1.218434 0.213784 -0.170131
C 1.860845 -1.028907 0.050655
C -0.312335 -2.133466 0.081287
C -1.572479 2.612350 1.630882
C -0.745642 3.758974 -1.785010
C 1.092731 -2.207633 0.189640
C -3.161749 -2.012316 -0.227406
C 4.261646 -0.163323 0.072248
C -4.613706 -1.615210 -0.439235
C 5.694952 -0.671374 0.297784
C 6.684735 -0.043728 -0.707974
C -6.432301 -0.403603 0.617582
H -2.579290 2.702659 -0.307758
H -2.621439 1.103357 0.446570
H 0.674342 3.097117 -0.272664
H 0.742642 2.190005 -1.800766
H 1.843781 1.103857 -0.232251
H -0.894042 -3.055766 0.165152
H -0.973094 1.902077 2.228670
H -0.979165 3.535987 1.497520
H -2.476333 2.871953 2.213354
H -1.410910 3.334692 -2.558206
H -1.357313 4.357197 -1.086659
H -0.035614 4.448198 -2.277435
H 1.575714 -3.175369 0.371959
H 3.619531 -2.096325 0.341662
H -3.035477 -2.441473 0.787089
H -2.858838 -2.766885 -0.983929
H -5.225669 -2.529495 -0.615512
H -4.695339 -0.956045 -1.330686
H 5.743067 -1.777273 0.252911
H 5.988819 -0.378926 1.325756
H 6.483320 -0.391089 -1.737076
H 7.726223 -0.305609 -0.449969
H 6.579426 1.054053 -0.694816
H -6.498062 0.334635 -0.209985
H -7.165485 -1.217771 0.428380
H -6.677533 0.092499 1.569535


