%chk=000040803.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040803

0 1
 O    1.824500       1.168300       2.023500    
 N   -3.341600      -1.753800      0.6523000    
 N   0.3686000      0.5440000      0.3301000    
 C   -2.108800      0.3945000      0.5388000    
 C   -2.472800      0.5408000     -0.9520000    
 C  -0.8140000       1.157000      0.8915000    
 C   -2.582300       2.017800      -1.345700    
 C   -3.774700     -0.2145000      -1.239700    
 C   -2.058800      -1.091800      0.9387000    
 C  -0.9119000       2.625400      0.4584000    
 C   -1.302900       2.781800      -1.011500    
 C   -3.680400      -1.669600     -0.7750000    
 C   -3.305700      -3.149700       1.088200    
 C    1.604000      0.6041000      0.9550000    
 C    2.725800     -5.3300001E-02  0.2363000    
 C    4.010100      0.4045000      0.4457000    
 C    2.447400      -1.100800     -0.6170000    
 C    5.063500     -0.2127000     -0.2288000    
 C    3.501000      -1.718100      -1.291400    
 C    4.808900      -1.274000      -1.097200    
 H   -2.916200      0.8611000       1.124900    
 H   -1.683000      8.3400004E-02  -1.563600    
 H  -0.6986000       1.141100       1.983300    
 H   -3.427500       2.483400     -0.8231000    
 H   -2.786700       2.104700      -2.419400    
 H   -3.991800     -0.1895000      -2.314200    
 H   -4.615900      0.2770000     -0.7336000    
 H   -1.241200      -1.604800      0.4156000    
 H   -1.848600      -1.154700       2.013800    
 H   3.6200002E-02   3.146300      0.6381000    
 H   -1.667900       3.127300       1.076100    
 H  -0.4863000       2.424100      -1.650500    
 H   -1.441100       3.844500      -1.241600    
 H   -4.651500      -2.147200     -0.9539000    
 H   -2.938600      -2.202700      -1.384400    
 H   0.2911000      0.1659000     -0.6074000    
 H   -2.540100      -3.729100      0.5596000    
 H   -4.276800      -3.629500      0.9231000    
 H   -3.104500      -3.212000       2.163400    
 H    4.224700       1.232700       1.114500    
 H    1.449200      -1.498400     -0.7689000    
 H    6.082000      0.1334000     -7.8400001E-02
 H    3.304300      -2.549800      -1.961700    
 H    5.629200      -1.755800      -1.621100    


%chk=000040803-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040803

0 1
O 1.789664 1.230893 1.988022
N -3.342655 -1.764247 0.666961
N 0.361097 0.579669 0.274212
C -2.124560 0.407231 0.532646
C -2.507796 0.549999 -0.966908
C -0.836251 1.194814 0.891283
C -2.626511 2.041294 -1.365392
C -3.808728 -0.238656 -1.241970
C -2.059145 -1.078764 0.946328
C -0.979322 2.686363 0.477295
C -1.347848 2.839770 -1.016758
C -3.692401 -1.701082 -0.771977
C -3.361816 -3.144349 1.187670
C 1.604014 0.627167 0.880942
C 2.733636 -0.070365 0.160538
C 4.056867 0.302093 0.509104
C 2.534802 -1.086156 -0.811732
C 5.161578 -0.309558 -0.118554
C 3.641355 -1.701894 -1.437590
C 4.957301 -1.310859 -1.097748
H -2.946144 0.868754 1.119874
H -1.702720 0.087297 -1.587216
H -0.661244 1.150169 1.982588
H -3.490638 2.483609 -0.826266
H -2.850121 2.124533 -2.447743
H -4.049922 -0.212004 -2.323062
H -4.646290 0.243361 -0.700182
H -1.205844 -1.580832 0.414498
H -1.849084 -1.153668 2.030607
H -0.037318 3.214060 0.712287
H -1.774136 3.142689 1.101855
H -0.503902 2.487101 -1.645108
H -1.490104 3.910126 -1.259715
H -4.654772 -2.226420 -0.919662
H -2.925517 -2.232274 -1.400544
H 0.275188 0.187983 -0.663862
H -2.602181 -3.811688 0.704746
H -4.359637 -3.590277 1.025192
H -3.164081 -3.135491 2.274464
H 4.187711 1.067057 1.281495
H 1.524878 -1.435035 -1.061142
H 6.179428 -0.010512 0.154954
H 3.478588 -2.491555 -2.179545
H 5.814884 -1.789046 -1.584084


