%chk=000041813.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041813

0 1
 O    2.094500       1.182300      0.9705000    
 O    2.600400      0.3672000      -1.161100    
 N   -4.578100      -1.036200     -0.8295000    
 C   -2.602900     -9.4099998E-02  0.2227000    
 C   -3.578000      -2.094000     -0.5829000    
 C   -3.919300      0.2671000     -0.5416000    
 C   -2.240400      -1.368600     -0.5621000    
 C   -2.851800     -0.5041000       1.710300    
 C   -3.836900      -2.693700      0.8085000    
 C   -3.874800      -1.631800       1.911500    
 C   -1.460400      0.9242000      0.1381000    
 C   -4.895600       1.192200      0.1865000    
 C   -5.101100      -1.088800      -2.192200    
 C  -0.1868000      0.5865000      0.5990000    
 C   -1.691000       2.191200     -0.4008000    
 C   0.8531000       1.513000      0.5213000    
 C  -0.6513000       3.117500     -0.4784000    
 C   0.6207000       2.778500     -1.7600000E-02
 C    2.926300      0.6011000     -4.9999999E-03
 C    4.272600      0.2778000      0.6071000    
 C    5.235800     -0.3831000     -0.3785000    
 C    6.567200     -0.7676000      0.2741000    
 C    7.495900      -1.456200     -0.7263000    
 C    8.801900      -1.880100     -7.3299997E-02
 H   -3.589900      -2.895400      -1.330500    
 H   -3.651200      0.7364000      -1.498600    
 H   -1.911400      -1.129700      -1.582800    
 H   -1.449700      -1.963400     -9.0599999E-02
 H   -1.912100     -0.8501000       2.160200    
 H   -3.154400      0.3697000       2.301200    
 H   -4.780600      -3.253000      0.8128000    
 H   -3.044200      -3.417000       1.038500    
 H   -3.718000      -2.105400       2.888000    
 H   -4.883300      -1.206600       1.956000    
 H   -5.363700      0.7162000       1.052000    
 H   -5.705700       1.494700     -0.4867000    
 H   -4.407600       2.102600      0.5441000    
 H   -5.623000      -2.037200      -2.361200    
 H   -5.835100     -0.2923000      -2.354800    
 H   -4.311800     -0.9923000      -2.946400    
 H   1.6100001E-02 -0.3961000       1.016400    
 H   -2.655600       2.509000     -0.7768000    
 H  -0.8311000       4.103000     -0.8985000    
 H    1.426300       3.505100     -8.1000000E-02
 H    4.100400     -0.3936000       1.455900    
 H    4.709900       1.211700      0.9772000    
 H    4.764600      -1.280200     -0.8002000    
 H    5.419800      0.2964000      -1.220100    
 H    6.378000      -1.437800       1.121400    
 H    7.053600      0.1304000      0.6738000    
 H    7.712100     -0.7788000      -1.560600    
 H    7.002400      -2.340700      -1.145800    
 H    9.451300      -2.368500     -0.8065000    
 H    8.621300      -2.585800      0.7438000    
 H    9.336800      -1.015000      0.3314000    


%chk=000041813-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041813

0 1
O 2.239232 1.471895 0.003669
O 2.279650 -0.880725 0.170573
N -4.742435 -0.877922 -0.762858
C -2.583400 -0.076853 0.013874
C -3.686205 -1.912612 -1.046746
C -4.060233 0.374705 -0.281637
C -2.382793 -1.089609 -1.161597
C -2.463914 -0.879805 1.358566
C -3.565037 -2.891036 0.149085
C -3.439514 -2.084912 1.465708
C -1.543810 1.052963 -0.027880
C -4.840630 1.033996 0.872959
C -5.729337 -0.654769 -1.831011
C -0.166437 0.694908 0.027290
C -1.879965 2.425571 -0.143503
C 0.823805 1.697014 -0.031573
C -0.872813 3.418063 -0.197109
C 0.487611 3.064683 -0.140710
C 2.873656 0.215613 0.101965
C 4.378219 0.431512 0.110990
C 5.182190 -0.882453 0.132815
C 6.705885 -0.630818 0.149910
C 7.531856 -1.937238 0.166649
C 9.055134 -1.686529 0.180295
H -3.927303 -2.459223 -1.978010
H -4.008242 1.103994 -1.129831
H -2.325190 -0.548879 -2.125285
H -1.470324 -1.700671 -1.049957
H -1.420324 -1.240947 1.441039
H -2.621846 -0.194348 2.213978
H -4.458133 -3.542218 0.200404
H -2.683476 -3.545507 -0.008208
H -3.116706 -2.744245 2.294765
H -4.448399 -1.715770 1.719745
H -4.974492 0.331915 1.712012
H -5.848009 1.334182 0.529770
H -4.331190 1.936897 1.255416
H -6.238953 -1.603055 -2.078231
H -6.503515 0.053380 -1.481439
H -5.291776 -0.237322 -2.774347
H 0.133830 -0.350340 0.104389
H -2.925813 2.737519 -0.198925
H -1.153265 4.473392 -0.285038
H 1.285153 3.812009 -0.182485
H 4.624974 1.059629 0.990343
H 4.640992 1.045613 -0.772519
H 4.888731 -1.478736 1.017947
H 4.912581 -1.493505 -0.750168
H 6.972648 -0.020409 1.038398
H 6.994217 -0.029835 -0.738296
H 7.264279 -2.548312 -0.719386
H 7.246376 -2.537172 1.054692
H 9.620521 -2.636354 0.194574
H 9.353791 -1.102495 1.071355
H 9.372347 -1.118225 -0.714527


