%chk=000114388.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114388

0 1
 O   0.2160000     -0.5669000       1.633500    
 N   -4.630600      -1.455400      0.1860000    
 C   0.1909000     -0.2427000      0.2071000    
 C  -0.9007000      -1.073300     -0.4577000    
 C    1.568900     -0.6004000     -0.2685000    
 C    2.286200      -1.178000      0.7701000    
 C  -0.1018000       1.216700      9.6600004E-02
 C    1.440500      -1.254300       1.982800    
 C   -2.255000     -0.8526000      0.2139000    
 C    2.139600     -0.4366000      -1.522100    
 C   -3.349700      -1.661600     -0.4796000    
 C    3.590500      -1.606700      0.5946000    
 C  -0.6678000       1.726800      -1.071200    
 C   0.1906000       2.068300       1.161300    
 C    3.456000     -0.8605000      -1.714000    
 C    4.177800      -1.441800     -0.6610000    
 C  -0.9416000       3.090700      -1.174500    
 C  -8.3300002E-02   3.432100       1.057900    
 C  -0.6495000       3.943200     -0.1100000    
 C   -5.677100      -2.247000     -0.4452000    
 H  -0.9639000     -0.9224000      -1.541100    
 H  -0.6537000      -2.138600     -0.3363000    
 H    1.194200      -2.287900       2.242100    
 H    1.892000     -0.7424000       2.836900    
 H   -2.204500      -1.154600       1.267800    
 H   -2.546100      0.2031000      0.2010000    
 H    1.584900      6.3999998E-03  -2.342100    
 H   -3.417500      -1.358200      -1.531600    
 H   -3.081600      -2.724800     -0.4525000    
 H    4.146100      -2.061200       1.407700    
 H  -0.8859000       1.110200      -1.936300    
 H   0.6468000       1.714500       2.081100    
 H    3.925400     -0.7418000      -2.686700    
 H    5.200700      -1.768700     -0.8263000    
 H   -4.882100     -0.4681000      0.1472000    
 H   -1.376000       3.490400      -2.086200    
 H   0.1479000       4.097100       1.884900    
 H  -0.8604000       5.005500     -0.1914000    
 H   -5.455200      -3.317500     -0.3868000    
 H   -5.816100      -1.966200      -1.494400    
 H   -6.624800      -2.079400      7.5999998E-02


%chk=000114388-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114388

0 1
O 0.248137 -0.480378 1.721671
N -4.696021 -1.570125 0.145533
C 0.181600 -0.144414 0.259207
C -0.911436 -1.041883 -0.395447
C 1.575733 -0.538973 -0.247568
C 2.256723 -1.286402 0.739939
C -0.100081 1.359549 0.122159
C 1.384151 -1.398287 1.972757
C -2.322221 -0.831653 0.190322
C 2.177138 -0.283909 -1.494901
C -3.351742 -1.801843 -0.419316
C 3.547074 -1.795777 0.499084
C -0.527743 1.907128 -1.115525
C 0.110655 2.233923 1.216061
C 3.474749 -0.792653 -1.743959
C 4.154971 -1.544396 -0.755287
C -0.732421 3.297623 -1.257311
C -0.097906 3.624243 1.076605
C -0.517014 4.163987 -0.161000
C -5.750596 -2.446165 -0.393305
H -0.916525 -0.870129 -1.490829
H -0.600587 -2.095784 -0.250293
H 1.006447 -2.431222 2.127203
H 1.883450 -1.065781 2.901807
H -2.289914 -0.973655 1.285203
H -2.648094 0.213010 0.009420
H 1.663201 0.314847 -2.254727
H -3.332536 -1.709851 -1.538805
H -3.059663 -2.846838 -0.187502
H 4.077790 -2.372442 1.265440
H -0.714786 1.252592 -1.975018
H 0.423159 1.805075 2.171957
H 3.960165 -0.596857 -2.706535
H 5.160799 -1.927633 -0.960521
H -4.954131 -0.575312 0.101157
H -1.062483 3.702655 -2.220875
H 0.065382 4.285900 1.935128
H -0.677548 5.242649 -0.269119
H -5.533548 -3.496204 -0.120202
H -5.860487 -2.408453 -1.506580
H -6.723743 -2.180761 0.056975


