%chk=000153794.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153794

0 1
 O  -1.8100001E-02  -4.512500      0.2942000    
 N  -0.1224000       2.499200     -0.1114000    
 N  -3.0900000E-02  -1.681600      0.1726000    
 C   -5.011100     -0.3457000      6.2799998E-02
 C    4.887100     -0.1257000      8.5500002E-02
 C   -3.718200      0.3948000      1.7300000E-02
 C    3.562800      0.5566000      3.4200002E-02
 C   -1.291000      0.4006000      2.6100000E-02
 C    1.137700      0.4547000      3.1700000E-02
 C  -6.1400000E-02 -0.2639000      7.5700000E-02
 C   -2.511300     -0.2961000      6.8599999E-02
 C    2.387500     -0.1871000      7.9999998E-02
 C   -1.274400       1.802400     -6.8700001E-02
 C    1.059300       1.854300     -6.3299999E-02
 C   -5.859900     -8.3200000E-02  -1.220000    
 C   -5.869900      8.8600002E-02   1.291200    
 C   -4.890600      -1.902600      0.1699000    
 C    5.719100      0.3444000       1.319100    
 C    5.730300      0.1766000      -1.192300    
 C    4.835500      -1.686600      0.1895000    
 C   -3.709900       1.780600     -7.6499999E-02
 C    3.493300       1.940800     -5.9700001E-02
 C   -2.495400       2.469800     -0.1185000    
 C    2.249700       2.575300     -0.1074000    
 C    1.115000      -2.449000     -0.1827000    
 C   0.6870000      -3.804900     -0.7179000    
 H   -2.512400      -1.376300      0.1246000    
 H    2.558500      -1.155400      0.4799000    
 H   -5.307100     -0.3789000      -2.119500    
 H   -6.123000      0.9749000      -1.326800    
 H   -6.798400     -0.6493000      -1.200200    
 H   -5.324600     -8.1699997E-02   2.227000    
 H   -6.808700     -0.4753000       1.341100    
 H   -6.133200       1.151200       1.250900    
 H   -4.365900      -2.204000       1.084100    
 H   -4.363900      -2.326300     -0.6933000    
 H   -5.881000      -2.373000      0.2009000    
 H    6.679900     -0.1804000       1.375100    
 H    5.938100       1.417100       1.279700    
 H    5.175300      0.1520000       2.251500    
 H    5.942700       1.246100      -1.298700    
 H    6.695100     -0.3431000      -1.166700    
 H    5.197700     -0.1462000      -2.094700    
 H    5.846500      -2.112600      0.1718000    
 H    4.376200      -2.019100       1.127600    
 H    4.290100      -2.130300     -0.6514000    
 H   -4.631300       2.354200     -0.1190000    
 H    4.388500       2.554800     -9.7499996E-02
 H   -2.514900       3.555700     -0.1921000    
 H    2.221200       3.661000     -0.1808000    
 H  -0.8069000      -2.144000      0.6268000    
 H    1.697800      -2.698500      0.7117000    
 H    1.674700      -2.052800      -1.036700    
 H    1.561800      -4.400500     -0.9974000    
 H   3.7500001E-02  -3.713300      -1.595400    
 H  -0.8963000      -4.106200      0.3830000    


%chk=000153794-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153794

0 1
O -0.885288 -4.328754 -0.260531
N -0.064932 2.456167 -0.381178
N 0.051847 -1.804243 0.208297
C -5.081585 -0.396596 0.229659
C 5.141660 0.002289 0.300628
C -3.709632 0.303730 0.102906
C 3.727723 0.571250 0.042637
C -1.223881 0.279352 0.010199
C 1.249441 0.354665 -0.051472
C 0.039769 -0.420025 0.046873
C -2.494265 -0.385795 0.123404
C 2.564402 -0.192219 0.163619
C -1.205796 1.719800 -0.184205
C 1.127080 1.782151 -0.314252
C -5.939261 -0.089844 -1.035863
C -5.818175 0.146171 1.492314
C -4.956826 -1.935442 0.367610
C 5.810070 0.791228 1.467794
C 6.005422 0.162396 -0.987484
C 5.118593 -1.499620 0.683043
C -3.666827 1.738942 -0.051724
C 3.585677 1.962798 -0.318336
C -2.464303 2.416377 -0.200015
C 2.336191 2.545869 -0.476117
C 0.928292 -2.769303 -0.474653
C 0.068376 -3.781685 -1.247215
H -2.519945 -1.476216 0.215790
H 2.644781 -1.231688 0.486760
H -5.443541 -0.469814 -1.948005
H -6.102002 0.994677 -1.167673
H -6.931187 -0.572976 -0.951319
H -5.245763 -0.083802 2.409518
H -6.818888 -0.317653 1.580226
H -5.955315 1.241159 1.446104
H -4.381768 -2.221065 1.267941
H -4.469337 -2.387322 -0.516743
H -5.964481 -2.381012 0.459173
H 6.830547 0.406545 1.655067
H 5.891159 1.868918 1.239470
H 5.222382 0.686730 2.398056
H 6.082692 1.218662 -1.300962
H 7.030810 -0.213234 -0.808628
H 5.568206 -0.408104 -1.827591
H 6.152155 -1.856284 0.846698
H 4.551714 -1.676214 1.615901
H 4.674033 -2.118038 -0.119460
H -4.604106 2.307349 -0.063962
H 4.481333 2.582643 -0.441699
H -2.425070 3.501884 -0.334445
H 2.219717 3.609539 -0.706268
H -0.807117 -2.249677 0.541356
H 1.561195 -3.320029 0.250529
H 1.590587 -2.245991 -1.183989
H 0.713482 -4.582307 -1.663926
H -0.472222 -3.272665 -2.071638
H -1.504023 -4.964074 -0.696719


