%chk=000106432.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106432

0 1
 O    3.391300     -0.5181000       2.577200    
 O    1.637100      -1.521600       1.720000    
 N   -2.809000     -0.7641000     -0.1862000    
 N   0.7574000     -0.9942000     -0.5468000    
 N   -4.240600       3.267000      0.5630000    
 N    2.570900     -0.6892000       1.645400    
 C   -2.007600      -1.978300     -2.2299999E-02
 C   -1.187500      -2.296700      -1.274400    
 C   -3.544100     -0.4648000       1.036600    
 C  -0.1944000      -1.190200      -1.634700    
 C   -4.328300      0.8446000      0.9275000    
 C   -3.727200     -0.9111000      -1.317000    
 C   -3.435600       2.052700      0.6383000    
 C    1.791300     -8.5900001E-02 -0.6039000    
 C    2.704100      8.9299999E-02  0.4615000    
 C    1.971600      0.7130000      -1.754800    
 C    3.743400       1.016200      0.3786000    
 C    3.010700       1.639900      -1.837300    
 C    3.896500       1.791500     -0.7707000    
 H   -1.340000      -1.868600      0.8401000    
 H   -2.652800      -2.839600      0.1983000    
 H   -1.815000      -2.541700      -2.137000    
 H  -0.6210000      -3.215700      -1.069000    
 H   -4.237400      -1.276700       1.292700    
 H   -2.841600     -0.3706000       1.874700    
 H  -0.7271000     -0.2583000      -1.854500    
 H   0.3396000      -1.500100      -2.541100    
 H   -4.825500       1.007500       1.894200    
 H   -5.145700      0.7732000      0.2015000    
 H   -4.421900      -1.748200      -1.181900    
 H   -4.313600     -5.7999999E-03  -1.497800    
 H   -3.199900      -1.047700      -2.265400    
 H   -2.901000       1.929300     -0.3090000    
 H   -2.688400       2.166500       1.431000    
 H   0.7302000      -1.654500      0.2180000    
 H    1.309600      0.6349000      -2.613200    
 H   -4.917300       3.183600     -0.1945000    
 H   -3.640800       4.055600      0.3245000    
 H    4.454600       1.164700       1.187100    
 H    3.130600       2.244100      -2.731900    
 H    4.705400       2.513400     -0.8356000    


%chk=000106432-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106432

0 1
O 3.667595 -0.810812 2.493786
O 1.929420 -1.967107 1.579266
N -2.970238 -0.976352 -0.295413
N 0.776474 -1.094307 -0.605321
N -3.669008 3.408300 0.205941
N 2.766986 -0.946675 1.574913
C -2.093024 -2.157876 -0.101235
C -1.179814 -2.426015 -1.322667
C -3.411951 -0.372240 0.992123
C -0.252378 -1.239234 -1.645396
C -4.015880 1.040839 0.852576
C -4.099819 -1.256140 -1.205817
C -3.051499 2.063028 0.218267
C 1.674386 -0.061436 -0.535556
C 2.668113 0.040769 0.515293
C 1.675090 0.985918 -1.521858
C 3.591094 1.121651 0.554138
C 2.589966 2.041236 -1.465097
C 3.560806 2.119851 -0.424556
H -1.461103 -1.966267 0.786374
H -2.681632 -3.083985 0.120244
H -1.794467 -2.638070 -2.217164
H -0.581125 -3.339429 -1.132605
H -4.152641 -1.031567 1.515603
H -2.521318 -0.307470 1.646491
H -0.876908 -0.324222 -1.693130
H 0.227112 -1.386133 -2.636041
H -4.292010 1.405048 1.860493
H -4.959256 1.007169 0.269031
H -4.831175 -1.986564 -0.774903
H -4.643469 -0.324740 -1.437355
H -3.730115 -1.667349 -2.160889
H -2.741385 1.688775 -0.785701
H -2.132978 2.114081 0.834814
H 0.874392 -1.799591 0.143717
H 0.942024 0.945660 -2.331264
H -4.539484 3.455215 -0.335139
H -3.026142 4.164528 -0.049662
H 4.315578 1.139241 1.372576
H 2.557678 2.818443 -2.237076
H 4.273105 2.949131 -0.390603


