%chk=000001585.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001585

0 1
 O   -3.027200     -0.3226000       1.121600    
 O   -3.712800      3.0000001E-04  -2.361900    
 O   -3.062600      -2.878500      -1.395300    
 O   -5.193200      -1.962000       1.711500    
 N   -2.032300       1.494000     -2.1600001E-02
 N   -1.083000       3.510900      5.9000000E-02
 N  -4.3400001E-02  9.8999999E-02 -2.6200000E-02
 N    1.987900       1.449300      5.5500001E-02
 N    2.077100     -0.8904000     -1.3400000E-02
 N    1.939100       3.840800      0.1299000    
 C   -2.958000     -0.4710000      -1.259500    
 C   -3.081900      0.4785000     -7.4500002E-02
 C   -3.539600      -1.747500     -0.6919000    
 C   -3.026300      -1.708300      0.7381000    
 C   -3.882200      -2.503200       1.707800    
 C  -0.6830000       1.277900     -2.0000001E-03
 C   -2.221600       2.850900      1.5799999E-02
 C  -0.1131000       2.540100      4.8400000E-02
 C    1.276500       2.602100      7.7799998E-02
 C    1.294100      0.2865000      5.7000001E-03
 C    3.466000      -1.108500      8.3999997E-03
 C    4.010100      -2.232700     -0.6175000    
 C    4.308500     -0.2010000      0.6552000    
 C    5.388100      -2.448200     -0.5966000    
 C    5.686400     -0.4164000      0.6760000    
 C    6.226300      -1.539900      5.0099999E-02
 H   -1.931400     -0.6247000      -1.605700    
 H   -4.043000       1.007000     -7.9300001E-02
 H   -4.633900      -1.737800     -0.7539000    
 H   -1.994200      -2.076300      0.7918000    
 H   -3.489600      -2.430200       2.726800    
 H   -3.936800      -3.558100       1.424000    
 H   -3.688100     -0.6869000      -3.049300    
 H   -3.348900      -2.791600      -2.320400    
 H   -3.205900       3.299000      9.6000005E-03
 H   -5.123500      -1.024600       1.961200    
 H    1.521600      -1.722900     -0.1866000    
 H    2.949600       3.859100      0.1512000    
 H    1.410700       4.702500      0.1472000    
 H    3.368400      -2.948000      -1.126000    
 H    3.931700      0.6608000       1.196000    
 H    5.808600      -3.323200      -1.083600    
 H    6.338700      0.2846000       1.188700    
 H    7.299000      -1.708900      6.8499997E-02


%chk=000001585-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001585

0 1
O -3.323086 -0.195786 0.985240
O -3.840789 0.031852 -2.511710
O -2.598483 -2.783235 -1.553332
O -5.013529 -2.406024 1.606672
N -2.144282 1.619715 -0.102362
N -1.198585 3.680295 0.286230
N -0.075016 0.237565 -0.133236
N 1.953474 1.597775 0.221961
N 2.002290 -0.769311 -0.142501
N 1.867765 3.928907 0.569016
C -2.969656 -0.380881 -1.414466
C -3.194669 0.616230 -0.248149
C -3.318002 -1.750779 -0.805126
C -2.873139 -1.590566 0.665903
C -3.553108 -2.504687 1.683602
C -0.759692 1.403754 -0.019170
C -2.340749 3.005276 0.101893
C -0.199976 2.687743 0.213314
C 1.217566 2.746966 0.336788
C 1.291308 0.417629 -0.007860
C 3.385256 -1.064927 -0.081962
C 3.757392 -2.425777 -0.282686
C 4.398053 -0.098236 0.164796
C 5.110878 -2.811756 -0.236325
C 5.749621 -0.502366 0.207868
C 6.121121 -1.851989 0.010231
H -1.906728 -0.405451 -1.720859
H -4.146600 1.153608 -0.397943
H -4.416060 -1.907711 -0.839093
H -1.768907 -1.652483 0.734026
H -3.189567 -2.257139 2.701738
H -3.309108 -3.560214 1.471384
H -3.634962 -0.528204 -3.301426
H -3.018730 -3.662886 -1.385165
H -3.336249 3.444402 0.091530
H -5.239102 -1.445661 1.718428
H 1.378579 -1.559739 -0.326027
H 2.881630 3.936643 0.652002
H 1.328377 4.787698 0.656603
H 2.981662 -3.178522 -0.475979
H 4.104677 0.941129 0.314888
H 5.376395 -3.863244 -0.393516
H 6.521850 0.252008 0.399000
H 7.173779 -2.151723 0.046379


