%chk=000162811.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162811

0 1
 O    4.979600       1.308900      5.1399998E-02
 N  -0.5394000     -0.1180000     -0.8538000    
 N    3.037500       2.106200      0.2555000    
 N    3.826400       1.059800      0.4226000    
 C  -5.4000001E-02  -1.390400     -0.4436000    
 C   -1.758700      0.5127000     -0.4948000    
 C   -1.251500      -1.418900       1.876000    
 C   -1.290800      9.8800004E-02   1.947300    
 C   0.2150000      0.5965000      -1.896100    
 C  -0.3937000      -2.016200      0.7807000    
 C   -2.157400      0.6386000      0.8464000    
 C    1.623500      0.9344000      -1.408500    
 C    1.670600       1.778500     -0.1311000    
 C   0.7901000      -2.127500      -1.317100    
 C   -2.611500       1.046900      -1.485200    
 C   8.1600003E-02  -3.322500       1.057000    
 C   -3.366000       1.280300       1.171100    
 C    1.265300      -3.406500      -1.016500    
 C   -3.811000       1.680800      -1.155800    
 C   0.9055000      -4.009000      0.1734000    
 C   -4.188100       1.798500      0.1747000    
 C    3.027200       2.968100       1.446200    
 H   0.2279000      4.6300001E-02  -2.844000    
 H  -0.2397000       1.565300      -2.143900    
 H   -2.265400      -1.830300       1.781700    
 H  -0.8584000      -1.763700       2.842400    
 H  -0.2933000      0.5408000       1.924400    
 H   -1.716100      0.3862000       2.917700    
 H    2.122200       1.492900      -2.213000    
 H    2.213900      2.2299999E-02  -1.283800    
 H    1.181400       1.242600      0.6838000    
 H    1.101500       2.700400     -0.3064000    
 H    1.079600      -1.746700      -2.292800    
 H   -2.365500      0.9494000      -2.541000    
 H  -0.1912000      -3.813200       1.990100    
 H   -3.674500       1.379100       2.209200    
 H    1.901500      -3.929700      -1.724100    
 H   -4.449600       2.075600      -1.940400    
 H    1.259300      -5.006000      0.4153000    
 H   -5.119900       2.289900      0.4373000    
 H    2.600200       2.462500       2.321600    
 H    2.443600       3.876700       1.257200    
 H    4.040100       3.302800       1.703700    


%chk=000162811-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162811

0 1
O 5.424624 2.122817 -0.203873
N -0.522535 0.011460 -0.711240
N 3.230063 2.115987 0.322954
N 4.232965 1.820179 -0.587406
C -0.125279 -1.328084 -0.359167
C -1.866129 0.484002 -0.478941
C -1.293711 -1.358916 2.019434
C -1.488063 0.175559 2.003226
C 0.251389 0.742376 -1.751839
C -0.473258 -1.967533 0.878567
C -2.363276 0.606236 0.848683
C 1.730914 0.994797 -1.377478
C 1.841331 1.804472 -0.072882
C 0.668596 -2.060560 -1.294261
C -2.681049 0.881658 -1.571966
C -0.023134 -3.296136 1.098243
C -3.672903 1.102547 1.048493
C 1.104611 -3.374271 -1.043564
C -3.979231 1.390084 -1.354889
C 0.754881 -4.010250 0.166840
C -4.483730 1.498670 -0.039026
C 3.492566 2.742494 1.628901
H 0.212613 0.237611 -2.741653
H -0.248768 1.718318 -1.881875
H -2.298267 -1.829134 2.033657
H -0.807143 -1.648566 2.971571
H -0.497115 0.666365 1.933340
H -1.945636 0.487632 2.959917
H 2.206109 1.543762 -2.209870
H 2.285714 0.047727 -1.271240
H 1.368959 1.234042 0.750489
H 1.279606 2.758504 -0.168361
H 0.929482 -1.606531 -2.253732
H -2.307177 0.770460 -2.595597
H -0.292628 -3.774660 2.048909
H -4.051737 1.195647 2.073855
H 1.707627 -3.895857 -1.795136
H -4.597220 1.685375 -2.210229
H 1.084394 -5.031680 0.383043
H -5.491870 1.888938 0.137119
H 3.197286 2.064747 2.450928
H 2.928753 3.688526 1.723039
H 4.575177 2.944387 1.687815


