%chk=000058305.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058305

0 1
 O   0.9509000       2.009900       1.363800    
 O   -4.993100       1.047800     -0.1959000    
 N   0.5238000      0.5650000     -0.4908000    
 N   0.5717000      -3.800600     -6.1299998E-02
 C   0.6320000      -1.721800      -1.408100    
 C    1.091600     -0.2690000      -1.514400    
 C    1.024700      -2.415400     -0.1005000    
 C  -0.9355000      0.6933000     -0.4124000    
 C    1.329100       1.273900      0.4534000    
 C   -1.636300      0.5779000      -1.572700    
 C   -1.479200      0.9167000      0.8141000    
 C  -0.8871000      -3.869000     -0.1637000    
 C    1.025500      -4.457100       1.166100    
 C    2.792400       1.132200      0.3283000    
 C   -3.024100      0.6983000      -1.498600    
 C   -2.866800       1.037100      0.8884000    
 C   -3.639400      0.9281000     -0.2680000    
 C    3.434000      0.1139000       1.012200    
 C    3.492000       2.021000     -0.4698000    
 C    4.817500     -1.9700000E-02  0.8942000    
 C    4.875400       1.887400     -0.5879000    
 C    5.538100      0.8671000      9.4099998E-02
 C   -5.618000      0.6336000       1.018100    
 C   -7.019000      0.1491000      0.7112000    
 H    1.077100      -2.275900      -2.245500    
 H  -0.4473000      -1.764400      -1.566900    
 H    2.183100     -0.2743000      -1.491200    
 H   0.8527000      0.1462000      -2.499800    
 H   0.6321000      -1.856800      0.7585000    
 H    2.118700      -2.396000     -2.6100000E-02
 H   -1.198300      0.4251000      -2.550600    
 H  -0.9370000      0.9276000       1.750100    
 H   -1.237000      -3.635800      -1.173700    
 H   -1.235000      -4.892200      2.4300000E-02
 H   -1.389700      -3.210900      0.5548000    
 H   0.7350000      -5.513600       1.168600    
 H    2.118900      -4.434300       1.233600    
 H   0.6142000      -3.983000       2.064800    
 H   -3.620700      0.6180000      -2.403300    
 H   -3.305000       1.225000       1.864200    
 H    2.881100     -0.5760000       1.643100    
 H    2.982300       2.817700      -1.004100    
 H    5.333700     -0.8133000       1.426400    
 H    5.436500       2.577700      -1.210900    
 H    6.615300      0.7631000      2.4999999E-03
 H   -5.079900     -0.1974000       1.491400    
 H   -5.662300       1.483300       1.708300    
 H   -6.991500     -0.6923000      1.0800000E-02
 H   -7.604800      0.9414000      0.2333000    
 H   -7.532700     -0.1674000       1.623300    


%chk=000058305-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058305

0 1
O 0.932789 1.360973 1.730643
O -5.097558 0.965166 -0.300492
N 0.567674 0.427126 -0.394474
N 0.640528 -4.061636 -0.107125
C 0.540125 -1.898684 -1.399290
C 1.084026 -0.453981 -1.487280
C 0.959238 -2.612485 -0.098165
C -0.875283 0.555917 -0.307617
C 1.392545 0.945786 0.619140
C -1.600755 0.945288 -1.465147
C -1.585883 0.294193 0.887125
C -0.812068 -4.334981 -0.103735
C 1.325538 -4.775094 0.991624
C 2.876805 1.058363 0.350631
C -3.000242 1.065373 -1.432048
C -2.991578 0.424476 0.933060
C -3.705067 0.807847 -0.229303
C 3.770444 0.723970 1.399760
C 3.392675 1.623145 -0.845070
C 5.160010 0.912375 1.241920
C 4.781395 1.831477 -0.994673
C 5.669857 1.465669 0.043286
C -5.879028 0.735552 0.930885
C -7.342164 0.990087 0.579019
H 0.943990 -2.471348 -2.256611
H -0.560087 -1.882090 -1.504705
H 2.182302 -0.473333 -1.418993
H 0.823473 -0.021539 -2.472221
H 0.491834 -2.095367 0.780569
H 2.057152 -2.516474 0.019646
H -1.068135 1.172730 -2.394694
H -1.038676 0.017119 1.789506
H -1.288734 -3.906119 -1.000928
H -0.978915 -5.426749 -0.124410
H -1.333571 -3.919483 0.797211
H 1.131150 -5.859502 0.907933
H 2.416213 -4.616704 0.915877
H 0.997908 -4.444077 2.010868
H -3.564967 1.370107 -2.318259
H -3.509371 0.226147 1.875822
H 3.359560 0.337349 2.338260
H 2.705991 1.926175 -1.643966
H 5.843089 0.640333 2.054142
H 5.168063 2.283118 -1.914935
H 6.747921 1.621742 -0.075522
H -5.723518 -0.307023 1.277968
H -5.528419 1.427723 1.724011
H -7.676241 0.304201 -0.218084
H -7.482625 2.026097 0.226629
H -7.979713 0.832244 1.467913


