%chk=000111039.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111039

0 1
 O    3.478800       1.933700     -0.7457000    
 O    4.157400      0.9760000       1.208500    
 O   -1.320000      -1.234200       1.423600    
 O   -3.248000      0.9460000      0.6295000    
 N   -1.899000      -1.089500     -0.8265000    
 C    1.092600      0.1993000     -0.2856000    
 C    2.607300     -0.1957000     -0.2411000    
 C   0.4142000      -1.194800     -0.2162000    
 C    2.638700      -1.313500      0.8173000    
 C    1.291700      -2.033000      0.7188000    
 C   0.6920000       1.084800      0.9230000    
 C   0.6811000      0.9422000      -1.566900    
 C    3.174300     -0.7185000      -1.572000    
 C    3.501000      0.9420000      0.1781000    
 C   -1.014700      -1.169300      0.2357000    
 C   -3.334400      -1.072500     -0.6606000    
 C   -3.861300      0.3507000     -0.5122000    
 C   -5.371100      0.3603000     -0.3164000    
 C   -3.680500       2.286000      0.8087000    
 H   0.4525000      -1.672100      -1.205600    
 H    2.746200     -0.9172000       1.834500    
 H    3.471300      -2.010900      0.6691000    
 H    1.428700      -3.036200      0.2972000    
 H   0.8736000      -2.174600       1.721000    
 H  -0.3766000       1.325200      0.9065000    
 H   0.9070000      0.6031000       1.882000    
 H    1.219300       2.044800      0.9076000    
 H  -0.3856000       1.193700      -1.547300    
 H    1.220400       1.885300      -1.689500    
 H   0.8447000      0.3383000      -2.465100    
 H    4.226900      -1.006800      -1.458200    
 H    2.636600      -1.602600      -1.929300    
 H    3.142500      3.2099999E-02  -2.368900    
 H   -1.539000      -1.029100      -1.774300    
 H    4.053200       2.686200     -0.4892000    
 H   -3.581700      -1.666200      0.2271000    
 H   -3.770700      -1.561000      -1.537900    
 H   -3.590800      0.9255000      -1.407500    
 H   -5.865700     -0.2551000      -1.075500    
 H   -5.647600     -2.1299999E-02  0.6727000    
 H   -5.789000       1.368000     -0.4079000    
 H   -2.980800       2.770700       1.496300    
 H   -4.668500       2.322800       1.276200    
 H   -3.670600       2.847400     -0.1312000    


%chk=000111039-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111039

0 1
O 3.420184 2.126221 -0.404612
O 4.030371 0.961790 1.492684
O -1.208789 -1.942315 1.445401
O -3.131785 1.328493 0.060807
N -1.955636 -1.176253 -0.618319
C 1.038360 0.103767 -0.091046
C 2.613581 -0.173101 -0.219053
C 0.477229 -1.367673 -0.269019
C 2.815052 -1.489254 0.590788
C 1.495491 -2.302476 0.437958
C 0.693260 0.658254 1.318268
C 0.480746 1.075650 -1.156689
C 3.065907 -0.368324 -1.694465
C 3.419558 0.967529 0.400583
C -0.951460 -1.531415 0.272226
C -3.357585 -1.055992 -0.207283
C -3.977925 0.305882 -0.580026
C -5.448201 0.378559 -0.125482
C -3.443258 2.700399 -0.340157
H 0.460190 -1.581277 -1.357529
H 3.014984 -1.249892 1.648129
H 3.694926 -2.042470 0.216996
H 1.645639 -3.228535 -0.144582
H 1.088100 -2.595765 1.420700
H -0.400904 0.756145 1.428985
H 1.053122 0.001601 2.127729
H 1.136081 1.661187 1.462962
H -0.585230 1.284124 -0.948511
H 1.029237 2.033716 -1.132673
H 0.567165 0.665874 -2.180775
H 4.141194 -0.621703 -1.730256
H 2.513555 -1.203985 -2.159704
H 2.912611 0.541223 -2.295784
H -1.683636 -0.811463 -1.532935
H 3.953600 2.827171 0.060943
H -3.375633 -1.193168 0.888289
H -3.974860 -1.857479 -0.660995
H -3.930317 0.450689 -1.688219
H -6.032140 -0.445401 -0.575449
H -5.512036 0.291549 0.973759
H -5.923220 1.327692 -0.428830
H -2.646922 3.327530 0.090725
H -4.422213 3.040097 0.053715
H -3.441995 2.812800 -1.446456


