%chk=000018109.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018109

0 1
 O   -1.277200      -2.869400       1.183800    
 N    2.432700      0.3270000      0.1220000    
 N   -3.167600      -2.420700     -2.0400001E-02
 C    1.084500      0.3164000     -0.4452000    
 C   -1.183300     -0.9990000     -0.4008000    
 C   0.2834000     -0.8588000      0.1303000    
 C    3.144800     -0.9118000     -0.2221000    
 C    3.173900       1.510500     -0.3359000    
 C    4.539600     -0.9387000      0.4046000    
 C    4.569700       1.562900      0.2872000    
 C    5.352600      0.2864000      1.5000000E-03
 C   -1.969000      0.2920000     -0.1127000    
 C   -1.129300      -1.398900      -1.895700    
 C   -1.857600      -2.184300      0.3424000    
 C   -2.083100      0.7068000       1.190200    
 C   -2.518800      0.9691000      -1.171800    
 C   -2.795400       1.877300       1.451500    
 C   -3.230800       2.139700     -0.9103000    
 C   -3.369100       2.593700      0.4015000    
 H    1.128900      0.2600000      -1.538700    
 H   0.5832000       1.255800     -0.1865000    
 H   0.7598000      -1.815300     -0.1068000    
 H   0.2906000     -0.7882000       1.226700    
 H    3.224000      -1.033100      -1.310300    
 H    2.654300      -1.801700      0.1778000    
 H    2.637300       2.421500     -4.4500001E-02
 H    3.259700       1.518600      -1.430600    
 H    5.067600      -1.848400      9.6500002E-02
 H    4.451900     -0.9746000       1.498100    
 H    4.482600       1.703200       1.372200    
 H    5.117500       2.427600     -0.1038000    
 H    6.305500      0.3002000      0.5417000    
 H    5.588500      0.2333000      -1.068400    
 H  -0.5739000      -2.336800      -2.021900    
 H   -2.122800      -1.574800      -2.324300    
 H  -0.6322000     -0.6463000      -2.516200    
 H   -1.651600      0.1578000       2.020400    
 H   -2.439500      0.6605000      -2.206300    
 H   -3.660500      -1.853800     -0.7024000    
 H   -3.694900      -3.176100      0.4049000    
 H   -2.904900       2.229900       2.473000    
 H   -3.677700       2.698500      -1.727500    
 H   -3.923900       3.504900      0.6051000    


%chk=000018109-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018109

0 1
O -1.337326 -3.443695 0.175626
N 2.430337 0.185159 -0.012442
N -3.217798 -2.150411 0.549620
C 1.129401 0.023470 -0.712635
C -1.232486 -1.085884 -0.576085
C 0.249980 -1.066717 -0.065933
C 3.326101 -0.988293 -0.188100
C 3.109883 1.442853 -0.421441
C 4.624872 -0.829913 0.629811
C 4.395812 1.677632 0.396562
C 5.357476 0.476865 0.253269
C -1.948499 0.236857 -0.238570
C -1.255105 -1.419702 -2.098979
C -1.921967 -2.321464 0.103165
C -1.951811 0.717261 1.103009
C -2.620778 1.015219 -1.217177
C -2.594665 1.924340 1.448648
C -3.266932 2.226782 -0.875234
C -3.257697 2.688532 0.458934
H 1.284104 -0.198203 -1.800588
H 0.601709 0.994716 -0.651070
H 0.656711 -2.077417 -0.244044
H 0.272590 -0.906708 1.028173
H 3.589204 -1.127186 -1.272700
H 2.791189 -1.897193 0.137993
H 2.403405 2.280817 -0.269862
H 3.374569 1.423008 -1.514017
H 5.275604 -1.708541 0.455652
H 4.365973 -0.811673 1.706171
H 4.121454 1.807485 1.461375
H 4.881551 2.612942 0.056989
H 6.253819 0.617469 0.886775
H 5.709586 0.411688 -0.797429
H -0.697017 -2.355671 -2.268370
H -2.285187 -1.569385 -2.470866
H -0.783039 -0.619000 -2.693956
H -1.442057 0.142548 1.884723
H -2.641317 0.683293 -2.259418
H -3.670298 -1.237360 0.538219
H -3.703375 -2.956747 0.942358
H -2.577756 2.269985 2.488492
H -3.775153 2.807654 -1.653402
H -3.755568 3.627489 0.725051


