%chk=000130873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130873

0 1
 O   0.6105000       1.604300      0.6687000    
 O  -0.4768000      0.2477000     -0.8879000    
 O    1.912200      -1.274700      -1.164700    
 O    3.978300       1.592500       2.093700    
 O   -4.067300     -8.5400000E-02 -0.3599000    
 O   -2.907200       2.389700      0.5544000    
 O    4.766400      -2.027600     -0.4611000    
 O   -4.185300       3.991100      -1.273900    
 O  -0.9209000      -2.059600      -2.553200    
 O   -1.670400      -2.626900       2.490800    
 N    4.367000      0.2647000     -0.5164000    
 N   -2.770600      -2.330300      0.4602000    
 C    3.134900      0.2682000      0.2485000    
 C    1.933100      6.9600001E-02 -0.6848000    
 C    3.009400       1.573400       1.047600    
 C   0.6087000      0.3277000      3.6499999E-02
 C    1.617500       1.708400       1.674600    
 C   -1.671700     -0.2119000     -0.2404000    
 C   -2.872600      0.4646000     -0.9324000    
 C    1.437200       3.057600       2.364500    
 C   -1.677400      -1.745900     -0.2754000    
 C   -2.923600       1.997500     -0.8191000    
 C    5.073900     -0.8887000     -0.8029000    
 C   -4.192000       2.576900      -1.444400    
 C   -1.774400      -2.271500      -1.695200    
 C    6.299700     -0.6120000      -1.631500    
 C   -2.672000      -2.722100       1.786400    
 C   -3.966600      -3.277200       2.317400    
 H    3.193200     -0.5808000      0.9430000    
 H    2.018300      0.7307000      -1.556700    
 H    3.205800       2.428900      0.3892000    
 H   0.4911000     -0.4453000      0.8087000    
 H    1.456300      0.9277000       2.430000    
 H   -1.680300      0.1047000      0.8127000    
 H   -2.875900      0.2092000      -1.998500    
 H    4.684200       1.145000     -0.9127000    
 H    1.558600       3.880900       1.651800    
 H    2.150400       3.192900       3.182800    
 H   0.4235000       3.143100       2.771200    
 H  -0.7441000      -2.151700      0.1310000    
 H   -2.037900       2.442200      -1.287000    
 H    1.144800      -1.360900      -1.755800    
 H    3.806400      0.8334000       2.676600    
 H   -3.671100      -2.416500     -3.5000001E-03
 H   -4.243400       2.349500      -2.513500    
 H   -5.091700       2.199500     -0.9481000    
 H   -2.675000      -2.856100      -1.951800    
 H   -4.085600      0.1671000      0.5792000    
 H    6.947900      -1.492700      -1.634700    
 H    6.000700     -0.3807000      -2.657500    
 H    6.858700      0.2312000      -1.215600    
 H   -2.932000       3.361500      0.5812000    
 H   -4.999100       4.330900      -1.683400    
 H   -4.376600      -4.015200       1.622100    
 H   -3.791200      -3.763700       3.280900    
 H   -4.684300      -2.462900       2.449900    


%chk=000130873-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130873

0 1
O 0.586143 1.847505 0.506822
O -0.597909 0.068122 -0.420143
O 1.839633 -1.549699 -0.491266
O 4.146537 2.298415 1.480845
O -4.261639 0.045416 0.292938
O -3.379503 2.221492 1.208134
O 6.024707 1.067231 0.169765
O -3.614895 4.143121 -0.570941
O -0.402882 -2.514917 -1.737612
O -2.511782 -4.577356 0.141295
N 4.188889 -0.254424 -0.446440
N -3.197885 -2.420929 0.575925
C 3.080859 0.333552 0.350810
C 1.792273 -0.099161 -0.386384
C 3.103067 1.876049 0.567544
C 0.556892 0.392714 0.381644
C 1.784094 2.315750 1.262257
C -1.808676 -0.364733 0.281424
C -2.987734 0.431209 -0.343384
C 1.663299 3.831661 1.375640
C -1.883826 -1.925971 0.151565
C -2.795670 1.956641 -0.129327
C 5.518505 0.071113 -0.460263
C -3.552798 2.794445 -1.169038
C -1.565406 -2.434100 -1.267492
C 6.415313 -0.831462 -1.298049
C -3.424360 -3.780652 0.546276
C -4.785378 -4.259082 1.024351
H 3.087210 -0.134074 1.360078
H 1.758746 0.378354 -1.390266
H 3.184685 2.378011 -0.423780
H 0.494955 -0.089034 1.386881
H 1.776555 1.849137 2.272713
H -1.757445 -0.103623 1.358702
H -3.063864 0.200088 -1.421208
H 3.889444 -1.127602 -0.901137
H 1.588855 4.286813 0.371729
H 2.561518 4.224065 1.879138
H 0.765649 4.110116 1.953848
H -1.086036 -2.340942 0.801402
H -1.723442 2.218269 -0.122695
H 1.036736 -1.905066 -0.995802
H 5.027365 1.955972 1.093116
H -3.938795 -1.711626 0.713288
H -2.994023 2.802381 -2.125304
H -4.574688 2.392513 -1.329474
H -2.448981 -2.695576 -1.893755
H -4.400358 0.766544 0.986704
H 6.971165 -0.212328 -2.022144
H 7.160138 -1.308337 -0.637458
H 5.863422 -1.616119 -1.841851
H -3.580675 3.196100 1.232291
H -4.111395 4.766565 -1.153967
H -5.483871 -3.430225 1.227567
H -5.224172 -4.930676 0.267402
H -4.656869 -4.849653 1.948683


