%chk=000022803.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022803

0 1
 O  -3.3799998E-02  -4.026200       1.180600    
 N  -6.9999998E-04  -2.277400     -5.7999999E-03
 N  -0.3544000      -3.544900      8.7300003E-02
 C    3.461100     -0.7531000     -0.4529000    
 C   -3.124600     -0.1702000     -0.6439000    
 C    2.053700     -0.9464000      0.1182000    
 C   -2.115900      -1.023600      0.1294000    
 C    4.164200      0.4398000      0.1987000    
 C   -4.306500      0.2296000      0.2424000    
 C    1.339500      -2.115900     -0.5573000    
 C  -0.9537000      -1.451400     -0.7654000    
 C    5.588000      0.6648000     -0.3207000    
 C   -5.337100       1.106100     -0.4767000    
 C    6.279700       1.874300      0.3136000    
 C   -6.531100       1.483100      0.4042000    
 C    7.723000       2.060700     -0.1617000    
 C   -7.528800       2.408600     -0.2971000    
 C    8.408400       3.275700      0.4442000    
 C   -8.731200       2.766300      0.5629000    
 H    4.053700      -1.661300     -0.2903000    
 H    3.402400     -0.5936000      -1.536300    
 H   -2.630100      0.7317000      -1.024300    
 H   -3.493600     -0.7287000      -1.512600    
 H    2.120600      -1.126500       1.198800    
 H    1.483800     -1.9400001E-02 -1.6799999E-02
 H   -1.735300     -0.4538000      0.9866000    
 H   -2.630200      -1.905600      0.5310000    
 H    4.200600      0.2899000       1.284900    
 H    3.572500       1.347000      2.4000000E-02
 H   -3.933400      0.7675000       1.122900    
 H   -4.803300     -0.6761000      0.6118000    
 H    1.324200      -1.994600      -1.649600    
 H    1.956600      -3.008400     -0.3714000    
 H   -1.317000      -1.975700      -1.660500    
 H  -0.4736000     -0.5315000      -1.125000    
 H    5.558800      0.7976000      -1.409200    
 H    6.184800     -0.2350000     -0.1271000    
 H   -5.700100      0.5797000      -1.368000    
 H   -4.844400       2.021200     -0.8279000    
 H    6.274300       1.762500       1.404900    
 H    5.703300       2.779100      8.4899999E-02
 H   -6.167300       1.974100       1.315200    
 H   -7.046700      0.5684000      0.7216000    
 H    7.735800       2.156600      -1.254000    
 H    8.305500       1.165100      8.5500002E-02
 H   -7.883300       1.929200      -1.217300    
 H   -7.019200       3.332400     -0.5960000    
 H    8.447200       3.197800       1.535300    
 H    7.874200       4.195000      0.1842000    
 H    9.433900       3.359800      7.1099997E-02
 H   -8.417700       3.281000       1.476600    
 H   -9.287800       1.868100      0.8483000    
 H   -9.408600       3.427700      1.3800000E-02


%chk=000022803-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000022803

0 1
O 1.418524 -4.499952 0.306568
N 0.024692 -2.999064 -0.620036
N 0.186829 -4.164515 0.107663
C 3.082354 -0.591109 -0.712222
C -3.268888 -0.934467 -0.572716
C 1.880241 -1.345241 -0.101049
C -1.796340 -1.273971 -0.249834
C 3.827978 0.285803 0.318493
C -3.728822 0.410336 0.034192
C 1.182621 -2.244077 -1.150654
C -1.371712 -2.613854 -0.892909
C 5.022238 1.056799 -0.287925
C -5.194864 0.759423 -0.307726
C 5.781355 1.918612 0.745684
C -5.659025 2.107613 0.288156
C 6.971477 2.696320 0.138561
C -7.122490 2.458977 -0.064664
C 7.727515 3.550539 1.179023
C -7.579364 3.808097 0.531304
H 3.792692 -1.324542 -1.147249
H 2.735023 0.046401 -1.553000
H -3.406401 -0.902312 -1.674227
H -3.925805 -1.747644 -0.200132
H 2.222904 -1.980547 0.736378
H 1.153502 -0.618560 0.311938
H -1.145622 -0.454787 -0.616937
H -1.653043 -1.334446 0.846692
H 4.189012 -0.356173 1.148461
H 3.116995 1.008518 0.770993
H -3.064814 1.222592 -0.328959
H -3.606641 0.377899 1.136734
H 0.822163 -1.640279 -2.003786
H 1.913806 -2.988139 -1.522804
H -1.995462 -3.438792 -0.504563
H -1.523136 -2.559165 -1.990726
H 4.659313 1.707291 -1.111567
H 5.727311 0.334607 -0.750406
H -5.860067 -0.050526 0.058256
H -5.316193 0.786034 -1.411106
H 6.151209 1.267658 1.565506
H 5.076762 2.637372 1.214602
H -4.991818 2.918421 -0.072785
H -5.546289 2.081347 1.392298
H 6.601336 3.348769 -0.678804
H 7.673274 1.977600 -0.332113
H -7.788748 1.649167 0.296963
H -7.234496 2.483497 -1.168026
H 8.134993 2.917605 1.989999
H 7.055057 4.296795 1.642951
H 8.572253 4.096274 0.719636
H -6.947241 4.638274 0.163144
H -7.508619 3.798150 1.635455
H -8.627127 4.036470 0.262372


