%chk=000127681.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127681

1 1
 O    1.422800     -0.2876000      0.8634000    
 O    1.420700       2.301000      -2.055700    
 O   -1.463200       3.388200       1.391200    
 O    2.308900      0.1033000       2.960800    
 O   -3.086200       3.882900     -0.1157000    
 N    3.548900      -1.781500     -0.8083000    
 N   6.7599997E-02   2.204400     -0.1698000    
 N   -3.331100      -1.857300      0.2628000    
 N   -4.326100      -3.352400      -1.332300    
 N   -4.297500      -3.869100      0.8874000    
 C    2.871600     -0.4842000      -1.054900    
 C    2.599500      0.2490000      0.2581000    
 C    2.691100      -2.681500      9.1799997E-02
 C    3.799000      -2.525400      -2.127400    
 C    4.902600      -1.567000     -0.1175000    
 C    2.418300       1.759300      8.7399997E-02
 C    1.273600       2.115300     -0.8509000    
 C   -1.181500       2.533700     -0.8173000    
 C   -1.920800       1.294000      -1.328400    
 C   -2.301100      0.2918000     -0.2321000    
 C    1.414800     -0.2982000       2.228200    
 C   -2.018600       3.346900      0.1518000    
 C   -2.994000     -0.9325000     -0.8207000    
 C   0.1263000     -0.8843000       2.720200    
 C   -3.945800      -2.948700     -7.1800001E-02
 H    3.530000      0.1048000      -1.704700    
 H    1.939500     -0.6927000      -1.594600    
 H    3.450700      0.1548000      0.9347000    
 H    2.744400      -2.334600       1.124400    
 H    3.109800      -3.692700      5.2099999E-02
 H    1.667600      -2.691100     -0.2935000    
 H    4.298300      -3.474200      -1.910000    
 H    4.431700      -1.894200      -2.758200    
 H    2.831500      -2.702000      -2.606300    
 H    5.465800      -2.504000     -0.1809000    
 H    4.762400      -1.325700      0.9381000    
 H    5.440600     -0.7737000     -0.6444000    
 H    3.332300       2.207100     -0.3207000    
 H    2.238400       2.237600       1.058000    
 H  -0.9527000       3.192400      -1.663800    
 H   4.8099998E-02   1.998400      0.8251000    
 H   -1.291800      0.7863000      -2.071000    
 H   -2.833200       1.611000      -1.849500    
 H   -1.404200     -3.2299999E-02  0.3056000    
 H   -2.960000      0.7652000      0.5054000    
 H   -3.902100     -0.6136000      -1.346600    
 H   -2.322200      -1.418300      -1.538700    
 H  -0.6647000     -0.1334000       2.662100    
 H   0.2485000      -1.202000       3.759500    
 H  -0.1382000      -1.765800       2.129500    
 H   -2.014200       3.899100       2.021800    
 H   -4.143400      -2.793000      -2.157700    
 H   -4.805800      -4.234500      -1.475900    
 H   -4.084400      -3.712300       1.866500    
 H   -4.779300      -4.728300      0.6466000    


%chk=000127681-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127681

1 1
O 1.204082 -0.339631 0.913614
O 1.193283 1.560381 -1.954643
O -1.903887 3.947959 0.917466
O 2.286633 -1.698319 2.463461
O -3.369424 4.010618 -0.890206
N 3.590793 -1.801406 -0.827739
N -0.054281 2.592173 -0.284586
N -2.601285 -1.888432 0.374418
N -4.341531 -3.287978 -0.585386
N -3.596865 -3.622188 1.606491
C 3.008249 -0.362314 -0.851789
C 2.501292 0.250100 0.468400
C 2.490427 -2.852202 -0.663589
C 4.257028 -2.014764 -2.189567
C 4.635724 -1.979069 0.274679
C 2.201372 1.760624 0.270115
C 1.070382 1.973578 -0.751409
C -1.266626 2.754849 -1.111353
C -1.916963 1.390464 -1.516969
C -2.153480 0.439667 -0.326216
C 1.211487 -1.205013 2.039672
C -2.294035 3.629895 -0.396125
C -2.630975 -0.958311 -0.775929
C -0.171832 -1.423659 2.564956
C -3.473550 -2.878597 0.432371
H 3.828335 0.278565 -1.221051
H 2.207374 -0.336228 -1.608770
H 3.238808 0.124793 1.282541
H 2.117969 -2.827904 0.366492
H 2.922970 -3.842774 -0.874077
H 1.677700 -2.633738 -1.371768
H 4.641105 -3.044732 -2.243280
H 5.087624 -1.301484 -2.301841
H 3.513361 -1.848003 -2.983683
H 5.104976 -2.967882 0.152163
H 4.135542 -1.920706 1.253967
H 5.399012 -1.191675 0.172520
H 3.108524 2.271003 -0.103659
H 1.956861 2.192600 1.255972
H -0.995493 3.277697 -2.049499
H -0.119565 2.910331 0.686168
H -1.236293 0.916455 -2.246864
H -2.862105 1.623588 -2.041989
H -1.211287 0.306218 0.234266
H -2.897411 0.858729 0.379082
H -3.644393 -0.861319 -1.234284
H -1.949426 -1.317934 -1.581191
H -0.544063 -0.486869 3.021135
H -0.151224 -2.211020 3.333149
H -0.902924 -1.669991 1.754187
H -2.594623 4.514444 1.354696
H -4.235331 -2.919008 -1.525587
H -5.200569 -3.787831 -0.365759
H -3.116978 -3.276187 2.432701
H -3.911295 -4.589167 1.587322


