%chk=000145918.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145918

0 1
 O   0.9726000      -1.998400      -1.693300    
 O   -1.410000      -2.815200     -0.4183000    
 O   -2.388300      0.5912000      -1.310300    
 O   -4.693900     -0.2277000     -1.7400000E-02
 O    6.744500     -0.6854000      0.3351000    
 O    4.002700      -4.360200      0.6514000    
 O   -6.459000      -1.679900     -0.3181000    
 O   -8.898500       1.402700       1.271600    
 O   -8.905700     -0.7113000      0.4343000    
 N    1.935300     -0.1994000      0.2662000    
 N    4.553200      0.8806000      0.1843000    
 N    2.987700      -2.331900      0.4632000    
 N    5.373700      -2.559200      0.4966000    
 C   8.8299997E-02  -1.037100      -1.115800    
 C   -1.350800      -1.589300      -1.146300    
 C   0.5704000     -0.7220000      0.3052000    
 C   -2.385000     -0.6172000     -0.5475000    
 C    2.110800       1.196400      0.1432000    
 C    3.041100      -1.037600      0.3478000    
 C    3.423300       1.709800      0.1045000    
 C   -3.798700      -1.197100     -0.5531000    
 C    1.043800       2.110400      5.6299999E-02
 C    4.401800     -0.3989000      0.2978000    
 C    1.270200       3.483900     -6.5099999E-02
 C    3.639700       3.091000     -1.7800000E-02
 C    2.568400       3.974800     -0.1022000    
 C    5.648600      -1.217700      0.3772000    
 C   9.8300003E-02   4.406300     -0.1529000    
 C    2.838400       5.437500     -0.2297000    
 C    4.104300      -3.136200      0.5414000    
 C   -6.010800     -0.6015000      4.4399999E-02
 C   -6.816800      0.5358000      0.6229000    
 C   -8.299800      0.3026000      0.7446000    
 H   0.1543000     -0.1407000      -1.741900    
 H   -1.616100      -1.817700      -2.186100    
 H   0.5768000      -1.654000      0.8866000    
 H  -0.1004000     -7.0900001E-02  0.8691000    
 H   -2.153300     -0.3561000      0.4900000    
 H   -4.105100      -1.421600      -1.581900    
 H   -3.847400      -2.109500      5.1500000E-02
 H   1.2900000E-02   1.778200      7.9099998E-02
 H   0.6658000      -2.171300      -2.599700    
 H    4.660800       3.466800     -4.5800000E-02
 H  -0.7448000      -3.412700     -0.8007000    
 H   -1.551800       1.054300      -1.147200    
 H  -0.8527000       3.863400     -0.1160000    
 H   9.9399999E-02   5.111400      0.6846000    
 H   0.1144000       4.961500      -1.096500    
 H    3.912600       5.652800     -0.2414000    
 H    2.421600       5.826900      -1.164200    
 H    2.409500       5.984400      0.6162000    
 H    6.167300      -3.190700      0.5576000    
 H   -6.429100      0.7390000       1.627200    
 H   -6.671100       1.407600     -2.4599999E-02
 H   -9.867200       1.280900       1.367600    


%chk=000145918-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000145918

0 1
O 0.987768 -1.931656 -1.975241
O -1.233880 -3.241503 -1.016403
O -2.423680 0.203426 -0.600228
O -4.837210 -1.250330 0.087642
O 6.601801 -0.370292 0.743902
O 4.009915 -4.171787 1.449034
O -6.110661 -0.274706 -1.624279
O -6.152564 2.088730 2.332082
O -4.326401 1.546618 1.025609
N 1.741080 -0.223054 0.283100
N 4.223036 1.171588 0.306212
N 2.836131 -2.222637 0.872315
N 5.249447 -2.245437 1.057479
C -0.015973 -1.104920 -1.263121
C -1.378287 -1.833343 -1.382971
C 0.472236 -0.986317 0.191067
C -2.475265 -1.255917 -0.470418
C 1.753854 1.165296 0.070459
C 2.924239 -0.926404 0.577340
C 3.024395 1.844223 0.091604
C -3.844283 -1.822729 -0.869933
C 0.572771 1.921461 -0.155468
C 4.168147 -0.138276 0.537817
C 0.634744 3.314954 -0.357404
C 3.065460 3.250933 -0.118618
C 1.903169 4.000786 -0.342719
C 5.452081 -0.883064 0.779074
C -0.648358 4.086942 -0.591544
C 1.978578 5.498977 -0.564169
C 3.999775 -2.949575 1.143192
C -5.826278 -0.411218 -0.418330
C -6.479619 0.333263 0.738424
C -5.523802 1.350608 1.343110
H -0.105818 -0.110266 -1.733583
H -1.698724 -1.745522 -2.447216
H 0.678150 -1.987592 0.602292
H -0.291786 -0.478623 0.800832
H -2.263533 -1.567992 0.573662
H -4.130374 -1.532930 -1.896450
H -3.864327 -2.916630 -0.746529
H -0.408712 1.435394 -0.178206
H 1.005975 -1.685498 -2.934003
H 4.053140 3.721801 -0.095010
H -0.346622 -3.533821 -1.363672
H -3.128251 0.628243 -0.027284
H -1.526259 3.420586 -0.588724
H -0.799466 4.860173 0.186158
H -0.625650 4.618687 -1.562016
H 3.020323 5.855641 -0.514709
H 1.569158 5.785982 -1.551687
H 1.394462 6.053066 0.195332
H 6.088076 -2.807448 1.240102
H -7.385575 0.853559 0.387915
H -6.778716 -0.372376 1.534054
H -5.521634 2.752726 2.723827


