%chk=000127537.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127537

0 1
 I    7.873400      0.2503000       1.979500    
 O    5.732100      -1.733600     -6.1099999E-02
 N   -6.597800     -0.1919000      6.0300000E-02
 N    5.045000      0.5071000     -0.2820000    
 N   -1.026900      0.1852000      0.4627000    
 N  -0.5116000      0.1321000     -0.6787000    
 C   -5.194800     -9.6400000E-02  0.1634000    
 C   -4.425800      -1.251700      0.3037000    
 C   -4.575600       1.152700      0.1232000    
 C   -2.425600      9.0899996E-02  0.3631000    
 C   -3.037600      -1.157800      0.4039000    
 C   -3.187500       1.246800      0.2232000    
 C   -7.212400      -1.362200     -0.5348000    
 C   -7.444900      0.8726000      0.5607000    
 C    3.656700      0.4130000     -0.3823000    
 C   0.8802000      0.2260000     -0.5801000    
 C    3.037100     -0.8360000     -0.3423000    
 C    2.888000       1.568500     -0.5213000    
 C    1.648900     -0.9296000     -0.4413000    
 C    1.499800       1.475200     -0.6201000    
 C    5.975800     -0.5320000     -0.1372000    
 C    7.403500     -2.9300001E-02 -6.2600002E-02
 H   -4.877200      -2.238700      0.3504000    
 H   -5.144300       2.070400      2.6000000E-03
 H   -2.446000      -2.062400      0.5161000    
 H   -2.712600       2.223600      0.1887000    
 H   -6.671300      -1.688400      -1.430200    
 H   -8.241100      -1.151400     -0.8485000    
 H   -7.249700      -2.188200      0.1831000    
 H   -7.088900       1.247900       1.526900    
 H   -8.470700      0.5208000      0.7182000    
 H   -7.487600       1.702300     -0.1527000    
 H    3.562900      -1.774600     -0.2378000    
 H    3.357400       2.548600     -0.5537000    
 H    1.174100      -1.907000     -0.4101000    
 H   0.9094000       2.381300     -0.7286000    
 H    5.417000       1.453700     -0.3160000    
 H    7.513300      0.8995000     -0.6315000    
 H    8.057500     -0.7739000     -0.5285000    


%chk=000127537-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127537

0 1
I 8.060457 2.224321 0.167594
O 6.124367 -1.687095 -0.588499
N -6.803741 -0.150051 0.049230
N 5.217907 0.436812 -0.113579
N -1.175356 0.596506 0.059784
N -0.401333 -0.440940 -0.185975
C -5.419122 0.009696 0.043090
C -4.546695 -1.102746 -0.225356
C -4.816356 1.285192 0.304521
C -2.565430 0.324936 0.034687
C -3.158078 -0.947385 -0.228967
C -3.422776 1.429035 0.298648
C -7.400740 -1.465886 -0.224329
C -7.677040 0.998801 0.328885
C 3.815267 0.186122 -0.140018
C 0.996002 -0.148664 -0.153909
C 3.260063 -1.093110 -0.410085
C 2.955217 1.292017 0.121050
C 1.861231 -1.244170 -0.413892
C 1.563826 1.131835 0.115421
C 6.248373 -0.449823 -0.324228
C 7.692307 0.058156 -0.233000
H -4.968363 -2.090844 -0.430250
H -5.438646 2.159690 0.511261
H -2.497300 -1.795860 -0.432703
H -2.960073 2.401538 0.498762
H -7.125661 -1.839457 -1.230760
H -8.497908 -1.385367 -0.181342
H -7.084816 -2.222629 0.521262
H -7.477324 1.429780 1.330347
H -8.728874 0.674722 0.302922
H -7.548827 1.803827 -0.422400
H 3.920136 -1.938601 -0.609771
H 3.390753 2.278519 0.328824
H 1.407173 -2.219246 -0.618646
H 0.891955 1.971613 0.314868
H 5.496875 1.404484 0.087745
H 8.204940 -0.142985 -1.185482
H 8.209811 -0.469343 0.582590


