%chk=000048509.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048509

1 1
 O    2.653700      -1.767000      0.5046000    
 N   -1.908300     -0.3546000     -0.2805000    
 C   -2.773100      0.8481000      9.1700003E-02
 C  -0.4128000     -3.8100000E-02 -0.2025000    
 C   -2.222100      -1.485700      0.6945000    
 C   -2.250300     -0.7603000      -1.711500    
 C   -2.473100       1.255200       1.517700    
 C   0.4151000      -1.061800      0.1164000    
 C  -4.2800002E-02   1.239200     -0.4604000    
 C    1.777900     -0.7732000      0.1858000    
 C    1.320100       1.527700     -0.3908000    
 C    2.230500      0.5215000     -6.7599997E-02
 C    3.685400      0.8490000      2.6000000E-03
 H   -2.639000       1.654900     -0.6346000    
 H   -3.821500      0.5328000      1.0600000E-02
 H   -1.740300      -1.314000       1.662500    
 H   -3.309200      -1.529000      0.8268000    
 H   -1.917100      -2.442100      0.2567000    
 H   -1.641000      -1.626600      -1.987700    
 H   -3.312000      -1.023400      -1.747400    
 H   -2.044000      8.2999997E-02  -2.378000    
 H   -3.003100       2.191300       1.730700    
 H   -2.854900      0.5304000       2.243800    
 H   -1.421000       1.439500       1.742900    
 H   0.1145000      -2.086700      0.2881000    
 H  -0.6988000       2.047400     -0.7499000    
 H    1.657600       2.539900     -0.5986000    
 H    4.249400      0.2592000     -0.7275000    
 H    3.873500       1.904700     -0.2226000    
 H    4.075200      0.6605000       1.008400    
 H    3.565500      -1.437200      0.5193000    


%chk=000048509-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048509

1 1
O 2.593374 -1.553153 1.119428
N -1.955194 -0.348688 -0.300892
C -2.781283 0.821745 0.327276
C -0.459555 -0.045316 -0.228574
C -2.330175 -1.648696 0.405745
C -2.364554 -0.496653 -1.774521
C -2.469867 1.085312 1.801249
C 0.417875 -0.928023 0.422426
C 0.018659 1.132895 -0.845061
C 1.799412 -0.622838 0.455149
C 1.401615 1.412843 -0.794484
C 2.323181 0.554711 -0.151736
C 3.807481 0.854344 -0.100793
H -2.559408 1.710467 -0.284485
H -3.841242 0.551371 0.174509
H -2.031112 -1.604407 1.460614
H -3.421813 -1.771035 0.335995
H -1.831647 -2.491663 -0.094345
H -1.766143 -1.302036 -2.225149
H -3.437602 -0.739740 -1.823254
H -2.169852 0.445221 -2.304645
H -3.025482 1.988464 2.109232
H -2.793679 0.267274 2.465631
H -1.398203 1.284834 1.966804
H 0.107001 -1.851947 0.913001
H -0.641865 1.836663 -1.360211
H 1.772772 2.325817 -1.271364
H 4.406300 0.063841 -0.594851
H 4.039293 1.799185 -0.616770
H 4.173939 0.959023 0.939592
H 3.551774 -1.305214 1.117984


