%chk=000064226.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064226

0 1
 O  -4.0100001E-02  -1.388700      0.4975000    
 N   0.7164000      0.6080000     -0.4107000    
 N   -4.059300     -0.2582000     -0.2828000    
 C    2.125400      0.3506000     -0.2080000    
 C    4.047600      -1.204000     -0.7528000    
 C    4.464600       1.270000     -0.5106000    
 C    3.913700     -0.1199000       1.519400    
 C    2.550100     -0.9253000     -0.9684000    
 C    2.965400       1.538700     -0.7271000    
 C    2.416500      0.1544000       1.295500    
 C    4.864000     -7.0000002E-03  -1.268900    
 C    4.315900      -1.389700      0.7504000    
 C    4.730500       1.071800      0.9914000    
 C  -0.2573000     -0.3023000     -3.2499999E-02
 C   -1.651700      0.2064000     -0.3527000    
 C   -2.737200     -0.7833000      5.7000000E-02
 C   -4.313100      0.9991000      0.4348000    
 C   -5.098800      -1.255300      8.6000003E-03
 C   -5.672200       1.587800      5.2999999E-02
 C   -6.483600     -0.7404000     -0.3868000    
 C   -6.796900      0.5874000      0.2936000    
 H    4.337900      -2.110400      -1.295800    
 H    5.049900       2.118900     -0.8812000    
 H    4.109500     -0.2566000       2.588800    
 H    2.344800     -0.8105000      -2.041100    
 H    1.989200      -1.808700     -0.6458000    
 H    2.675100       2.463500     -0.2112000    
 H    2.767600       1.706800      -1.794100    
 H    1.850100     -0.6782000       1.725400    
 H    2.115500       1.048600       1.857600    
 H    4.693700      0.1270000      -2.344200    
 H    5.935700     -0.2005000      -1.137900    
 H    3.751300      -2.251100       1.128100    
 H    5.378000      -1.607400      0.9168000    
 H    4.464300       1.982100       1.542400    
 H    5.800000      0.8975000       1.162300    
 H   0.4372000       1.483100     -0.8452000    
 H   -1.728700       1.154900      0.1875000    
 H   -1.705600      0.4142000      -1.428400    
 H   -2.660900      -1.007500       1.129500    
 H   -2.566500      -1.726800     -0.4775000    
 H   -3.590900       1.776500      0.1737000    
 H   -4.265400      0.8500000       1.521400    
 H   -5.096300      -1.522600       1.073700    
 H   -4.902800      -2.173600     -0.5581000    
 H   -5.663500       1.879500      -1.005000    
 H   -5.858800       2.498300      0.6340000    
 H   -7.244800      -1.481700     -0.1185000    
 H   -6.531000     -0.6129000      -1.475800    
 H   -6.919200      0.4263000       1.371700    
 H   -7.744500      0.9885000     -8.2000002E-02


%chk=000064226-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064226

0 1
O -0.097523 -1.588066 -0.015242
N 0.748754 0.563904 -0.351327
N -4.120975 -0.174916 -0.044570
C 2.197219 0.266377 -0.171836
C 4.216121 -0.999947 -1.060399
C 4.498844 1.356001 -0.167015
C 3.998061 -0.551297 1.426667
C 2.694266 -0.751060 -1.241367
C 2.975802 1.600804 -0.345472
C 2.476081 -0.300370 1.251975
C 4.986945 0.337286 -1.232673
C 4.479752 -1.571923 0.359515
C 4.768418 0.785672 1.252509
C -0.280937 -0.356031 -0.276289
C -1.682579 0.211113 -0.554303
C -2.727004 -0.384792 0.414323
C -4.553501 1.243488 0.038775
C -5.069889 -1.065828 0.674221
C -5.961661 1.436071 -0.561733
C -6.492612 -0.951238 0.090896
C -6.986226 0.512930 0.135894
H 4.556296 -1.727191 -1.823588
H 5.035662 2.316821 -0.293154
H 4.182586 -0.958021 2.440417
H 2.486722 -0.345641 -2.252085
H 2.126879 -1.692521 -1.133856
H 2.622772 2.339696 0.404005
H 2.777825 2.020184 -1.354130
H 1.905285 -1.236142 1.384593
H 2.115560 0.425077 2.008724
H 4.822799 0.742320 -2.251788
H 6.076456 0.168261 -1.119189
H 3.942712 -2.532460 0.485665
H 5.561141 -1.777265 0.491611
H 4.445255 1.513752 2.023999
H 5.855850 0.622320 1.391658
H 0.499734 1.533837 -0.559107
H -1.673781 1.317344 -0.518182
H -1.978480 -0.085182 -1.579847
H -2.559474 0.025063 1.444744
H -2.535112 -1.471683 0.463495
H -3.827883 1.870341 -0.510652
H -4.557948 1.597242 1.106327
H -5.104539 -0.820262 1.770252
H -4.703258 -2.105103 0.582161
H -5.922421 1.195281 -1.641769
H -6.261062 2.497706 -0.463925
H -7.176546 -1.612349 0.657540
H -6.475221 -1.304509 -0.958214
H -7.103851 0.828217 1.193870
H -7.980512 0.603989 -0.341126


