%chk=000045480.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045480

0 1
 O    3.226900      -2.969300      -1.102200    
 O    4.576500      -2.622300      0.8627000    
 O   -6.942600     -0.1211000      0.1961000    
 O   -6.250700      -2.186200     -7.8699999E-02
 N    1.402200       2.911900     -0.1956000    
 N   -6.019600     -0.9637000      8.4399998E-02
 C    1.368600       1.658000     -0.9954000    
 C    2.254800      0.5303000     -0.4557000    
 C  -9.3300000E-02   1.175700      -1.066300    
 C    2.731200       3.181800      0.3648000    
 C    3.087400      0.7362000      0.6728000    
 C    3.107900       2.078300       1.347100    
 C  -0.6092000      0.8179000      0.3199000    
 C    2.288400     -0.7156000      -1.111100    
 C   0.9695000       4.071200     -0.9854000    
 C    3.883000     -0.3045000       1.179400    
 C    3.092400      -1.712800     -0.5965000    
 C    3.863000      -1.515000      0.5219000    
 C   -2.039700      0.3470000      0.2585000    
 C    4.167900      -3.541200     -0.1709000    
 C   -3.067100       1.270200      0.3817000    
 C   -2.305500      -1.002400      7.9000004E-02
 C   -4.390900      0.8343000      0.3242000    
 C   -3.629300      -1.438500      2.1500001E-02
 C   -4.672000     -0.5201000      0.1440000    
 H    1.734200       1.869300      -2.010200    
 H  -0.1815000      0.3078000      -1.732000    
 H  -0.7354000       1.937700      -1.523800    
 H    2.725900       4.131100      0.9147000    
 H    3.483900       3.268500     -0.4307000    
 H    2.411500       2.061600       2.194600    
 H    4.109900       2.286400       1.741200    
 H  -0.5546000       1.675700       1.001800    
 H  -9.3999999E-03  2.9500000E-02  0.7902000    
 H    1.700600     -0.9005000      -2.004100    
 H  -5.7500001E-02   3.958900      -1.344000    
 H    1.620600       4.245500      -1.849800    
 H   0.9726000       4.977100     -0.3681000    
 H    4.507000     -0.1582000       2.054900    
 H    5.056800      -3.865100     -0.7243000    
 H    3.707600      -4.417300      0.3000000    
 H   -2.858000       2.327300      0.5197000    
 H   -1.499900      -1.724600     -1.9900000E-02
 H   -5.177400       1.578100      0.4227000    
 H   -3.810400      -2.500900     -0.1206000    


%chk=000045480-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045480

0 1
O 3.641478 -2.904862 -1.316619
O 4.857275 -2.610830 0.732663
O -7.116040 0.163411 0.078625
O -6.535576 -2.042979 0.089964
N 1.412422 2.889872 -0.246716
N -6.237080 -0.784829 0.113844
C 1.386216 1.611800 -1.016161
C 2.354214 0.547785 -0.478805
C -0.076650 1.058403 -1.056358
C 2.678639 3.179682 0.463555
C 3.089616 0.727615 0.722745
C 2.987055 2.051890 1.460193
C -0.617744 0.702309 0.354420
C 2.486695 -0.659900 -1.230195
C 0.951359 4.040410 -1.049103
C 3.952325 -0.298902 1.210754
C 3.325911 -1.651276 -0.728863
C 4.041652 -1.478251 0.474853
C -2.080753 0.309666 0.318991
C 4.470263 -3.607973 -0.301251
C -3.096298 1.305901 0.280445
C -2.473332 -1.056417 0.290435
C -4.458250 0.960731 0.213808
C -3.829959 -1.426747 0.223090
C -4.808308 -0.408480 0.183949
H 1.677683 1.808097 -2.081058
H -0.113290 0.166752 -1.710854
H -0.738178 1.813398 -1.522568
H 2.548799 4.138113 1.000323
H 3.542265 3.304608 -0.238315
H 2.177732 2.020205 2.216349
H 3.930726 2.266069 1.995965
H -0.462356 1.593099 0.992157
H -0.009427 -0.120059 0.774089
H 1.954262 -0.802722 -2.175015
H -0.044576 3.840740 -1.480041
H 1.643695 4.290829 -1.891527
H 0.863529 4.930994 -0.401719
H 4.531529 -0.156640 2.127585
H 5.380529 -3.992983 -0.786097
H 3.863007 -4.401621 0.173622
H -2.808926 2.363371 0.314271
H -1.702759 -1.835062 0.324991
H -5.248084 1.716197 0.189320
H -4.144991 -2.473411 0.202758


