%chk=000170132.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170132

0 1
 S  -0.6668000      9.1000004E-03 -0.3887000    
 S   -6.247600       2.351700     -0.4172000    
 F   4.3699998E-02   1.231300       1.778700    
 F    1.128900     -0.6065000       1.381300    
 F    1.190800       2.520400     -0.2300000    
 F    2.573100       1.664000       1.201800    
 F    3.425300       1.751100      -1.354400    
 F    1.734800      0.5895000      -2.039600    
 F    2.460300      -1.523500     -0.5096000    
 F    3.937100     -0.8225000      -1.936400    
 F    3.829400     -0.4015000       1.555100    
 F    4.938800      -1.808100      0.3286000    
 F    5.094300       1.701900      0.2123000    
 F    6.194600      0.2320000     -0.9640000    
 F    6.443700      0.2961000       1.195200    
 O   -1.022400       1.173000      -1.178400    
 O  -0.2367000      -1.211900      -1.043800    
 O   -7.051300       3.458500      0.4713000    
 O   -7.031100       1.130500     -0.4615000    
 O   -5.765300       2.988300      -1.629300    
 N   -1.971500     -0.3729000      0.6608000    
 N   -3.723900      -4.223300     -0.1078000    
 C   0.6057000      0.4921000      0.7794000    
 C    1.725800       1.335200      0.1849000    
 C   -1.795600      -1.448400       1.666500    
 C   -2.818700      0.7360000       1.163300    
 C    2.552500      0.7773000     -0.9656000    
 C   -2.821500      -2.555600       1.446500    
 C   -3.991600      0.9765000      0.2206000    
 C    3.336900     -0.5098000     -0.7500000    
 C   -2.711900      -3.185700      5.6800000E-02
 C   -4.886700       2.118800      0.6826000    
 C    4.402100     -0.5531000      0.3352000    
 C    5.540600      0.4280000      0.2034000    
 C   -3.374100      -5.112300      -1.216800    
 C   -5.041600      -3.626600     -0.3313000    
 H   -1.858100      -1.057000       2.687800    
 H  -0.7989000      -1.892300       1.577300    
 H   -2.224500       1.650500       1.263800    
 H   -3.207400      0.5167000       2.164300    
 H   -2.678600      -3.326800       2.213800    
 H   -3.816200      -2.127300       1.609500    
 H   -4.579800      5.3399999E-02  0.1391000    
 H   -3.628600       1.186500     -0.7921000    
 H   -1.708800      -3.625300     -2.2100000E-02
 H   -2.792400      -2.435200     -0.7387000    
 H   -4.330400       3.060100      0.7307000    
 H   -5.299900       1.897700       1.672200    
 H   -2.414800      -5.607200      -1.027900    
 H   -3.304900      -4.575400      -2.170000    
 H   -4.119000      -5.908900      -1.322300    
 H   -5.388000      -3.056800      0.5356000    
 H   -5.791300      -4.411500     -0.4865000    
 H   -5.057400      -2.969600      -1.208800    
 H   -6.628300       4.347700      0.5249000    


%chk=000170132-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170132

0 1
S -0.257991 -0.083178 -0.809873
S -6.689152 1.468399 -0.365355
F 0.339246 1.058742 1.747467
F 1.685048 -0.725918 1.298034
F 1.710780 2.706313 0.116783
F 3.097277 1.744373 1.656897
F 4.180663 2.279652 -0.844247
F 2.568029 1.018840 -1.869781
F 3.456733 -1.267008 -0.676901
F 5.013356 -0.092503 -1.861710
F 4.624435 -0.543864 1.725408
F 5.997446 -1.544776 0.200567
F 5.896057 1.904963 1.329380
F 7.095747 1.081421 -0.416046
F 7.374018 0.224987 1.665763
O -0.595406 1.229985 -1.696759
O 0.303547 -1.456756 -1.449446
O -7.408891 2.371587 1.099918
O -6.977533 -0.124275 -0.233520
O -7.090757 2.238331 -1.728565
N -1.830323 -0.508786 0.099692
N -4.671333 -3.900939 0.059616
C 1.199881 0.483330 0.781742
C 2.331937 1.484498 0.473730
C -1.673165 -1.643770 1.049675
C -2.624651 0.679302 0.500369
C 3.340493 1.150079 -0.690139
C -3.000573 -2.423525 1.206044
C -3.984047 0.667473 -0.249528
C 4.279677 -0.119311 -0.650705
C -3.484939 -3.042642 -0.119573
C -4.861674 1.839591 0.181583
C 5.322895 -0.341457 0.514235
C 6.434426 0.743733 0.767942
C -4.916101 -4.802735 -1.082703
C -5.887633 -3.204078 0.525206
H -1.336361 -1.285631 2.045574
H -0.898942 -2.315637 0.635237
H -2.071814 1.599132 0.231867
H -2.770676 0.676728 1.599343
H -2.830098 -3.233182 1.941957
H -3.771579 -1.759139 1.639939
H -4.507115 -0.279371 -0.029894
H -3.788246 0.696112 -1.335311
H -2.671818 -3.667828 -0.535167
H -3.665117 -2.227415 -0.865824
H -4.648381 2.804143 -0.303839
H -4.966776 1.950347 1.272667
H -4.002759 -5.382309 -1.304465
H -5.216123 -4.260454 -2.012267
H -5.721820 -5.513551 -0.828621
H -5.727102 -2.763088 1.523559
H -6.710295 -3.934261 0.614851
H -6.222961 -2.385858 -0.158498
H -8.396738 2.450084 0.964190


