%chk=000068849.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068849

0 1
 O   5.2200001E-02 -0.1540000      -1.005300    
 O    1.951700      -1.492400     -0.6037000    
 O  -0.8889000       2.514100       1.270000    
 O    3.341200      -1.185400       1.283800    
 N   -2.342200     -0.1514000      0.4417000    
 C    1.436000      0.3171000      0.9447000    
 C   2.7899999E-02  0.4247000      0.3219000    
 C    2.175300       1.356000      6.8400003E-02
 C  -0.1902000       1.947300      0.1706000    
 C    2.257400      0.8046000      -1.377200    
 C    1.221000       2.556300      0.1413000    
 C    1.390100     -0.4649000      -1.428600    
 C    2.019200      -1.086200      0.7674000    
 C   -1.054400     -0.2973000       1.113400    
 C    3.700000      0.5336000      -1.801000    
 C   -2.295700     -0.7092000     -0.9190000    
 C   -3.433800     -0.7198000       1.229900    
 C   -3.667700      -1.126800      -1.467400    
 C   -4.785600     -0.3097000      0.6333000    
 C   -4.783300     -0.2639000     -0.8968000    
 C    3.869900      -2.492800       1.112600    
 H    1.455600      0.6282000       1.996500    
 H    3.161800       1.616900      0.4652000    
 H  -0.7342000       2.187900     -0.7498000    
 H    1.841500       1.539200      -2.078400    
 H    1.419000       3.131300       1.054700    
 H    1.348700       3.242500     -0.7025000    
 H    1.334300     -0.8527000      -2.450500    
 H    1.400600      -1.791700       1.334200    
 H   -1.102500      0.1104000       2.130700    
 H  -0.8168000      -1.364100       1.209800    
 H    4.206500     -0.1640000      -1.127800    
 H    3.731700      0.1116000      -2.810900    
 H    4.275900       1.465100      -1.809300    
 H  -0.9612000       3.470400       1.109000    
 H   -1.667100      -1.605600     -0.9956000    
 H   -1.971900      7.3100001E-02  -1.614500    
 H   -3.399600     -0.3581000       2.265000    
 H   -3.354100      -1.814100       1.274200    
 H   -3.862300      -2.174900      -1.205000    
 H   -3.667200      -1.070900      -2.562100    
 H   -5.080900      0.6763000       1.013200    
 H   -5.549200      -1.016900      0.9790000    
 H   -4.641400      0.7727000      -1.228200    
 H   -5.756600     -0.5856000      -1.283300    
 H    4.029800      -2.715200      5.3399999E-02
 H    3.214300      -3.243400       1.564900    
 H    4.839600      -2.534900       1.616500    


%chk=000068849-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068849

0 1
O 0.373143 -0.511052 -1.344595
O 2.362418 -1.612454 -0.594060
O -1.311105 2.107285 0.668142
O 3.491969 -0.846794 1.406340
N -2.404937 -0.310533 0.317557
C 1.421285 0.203710 0.780105
C 0.077928 0.115921 -0.002546
C 2.134652 1.331187 -0.024281
C -0.304126 1.622144 -0.268778
C 2.512203 0.741289 -1.433551
C 1.022486 2.410425 -0.093528
C 1.820372 -0.637528 -1.558626
C 2.205785 -1.110151 0.792218
C -1.018510 -0.715351 0.694730
C 4.034018 0.649762 -1.666294
C -2.742599 -0.663415 -1.104397
C -3.439020 -0.826194 1.260664
C -4.273385 -0.607890 -1.352561
C -4.768106 -0.044528 1.069388
C -4.942266 0.413108 -0.406722
C 4.301815 -2.062218 1.579100
H 1.231224 0.533362 1.816046
H 3.041074 1.687124 0.490731
H -0.677647 1.679942 -1.313481
H 2.068546 1.381203 -2.222681
H 0.953385 2.958504 0.864201
H 1.191826 3.146047 -0.898704
H 1.937970 -1.109280 -2.545299
H 1.696936 -1.929840 1.344518
H -0.926974 -0.556456 1.784810
H -0.834035 -1.792318 0.479287
H 4.507355 0.032194 -0.884579
H 4.268907 0.206598 -2.652723
H 4.485394 1.658448 -1.632713
H -2.041836 1.384993 0.605513
H -2.346422 -1.675289 -1.348507
H -2.215338 0.047501 -1.764122
H -3.065299 -0.697145 2.292753
H -3.600197 -1.920080 1.108938
H -4.725773 -1.604854 -1.184361
H -4.459549 -0.350261 -2.411318
H -4.785280 0.837402 1.735911
H -5.610060 -0.697524 1.370203
H -4.473692 1.404634 -0.552625
H -6.015635 0.525483 -0.647509
H 4.548264 -2.513097 0.600446
H 3.766470 -2.808793 2.202163
H 5.220765 -1.741819 2.093198


