%chk=000006768.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006768

0 1
 O   0.7198000     -2.4100000E-02   1.787800    
 O   -3.744300       2.766200      0.2179000    
 N    2.194900     -0.7648000     -0.9140000    
 N   -2.975200      -2.692800     -0.1964000    
 C    3.406200       1.480000     -0.4012000    
 C    3.899800      0.3633000      0.5452000    
 C    1.886100       1.612200     -0.1833000    
 C    1.210600      0.2717000     -0.5185000    
 C    3.622200       1.051200      -1.865600    
 C    3.221100     -0.9650000      0.1407000    
 C    2.896100     -0.2794000      -2.127100    
 C   0.3986000     -0.2573000      0.6248000    
 C    5.394000      0.2429000      0.5680000    
 C  -0.8129000      -1.075500      0.3356000    
 C    6.142700      0.4220000       1.661400    
 C   -2.061000     -0.4952000      0.1804000    
 C  -0.6139000      -2.431100      0.2335000    
 C   -3.141200      -1.360700     -9.1300003E-02
 C   -2.270400      0.8906000      0.2829000    
 C   -1.730500      -3.196900     -3.4000002E-02
 C   -4.405400     -0.8001000     -0.2518000    
 C   -3.545400       1.424300      0.1179000    
 C   -4.614000      0.5776000     -0.1498000    
 C   -5.077900       3.240900      3.6800001E-02
 H    3.905800       2.433800     -0.1980000    
 H    3.556600      0.6164000       1.559000    
 H    1.497700       2.389400     -0.8543000    
 H    1.683700       1.958700      0.8362000    
 H   0.5114000      0.4399000      -1.349400    
 H    4.688900      0.9513000      -2.093400    
 H    3.227600       1.823100      -2.537800    
 H    3.953800      -1.702200     -0.2153000    
 H    2.771000      -1.437000       1.022500    
 H    2.179600     -0.1616000      -2.949900    
 H    3.612100      -1.036300      -2.471500    
 H    5.901200     -2.2700001E-02 -0.3560000    
 H    7.220500      0.3118000       1.612900    
 H    5.700800      0.6798000       2.617500    
 H   0.3579000      -2.894000      0.3575000    
 H   -1.449500       1.572500      0.4926000    
 H   -1.655500      -4.275400     -0.1279000    
 H   -5.258300      -1.443000     -0.4622000    
 H   -5.634300      0.9177000     -0.2906000    
 H   -5.750700       2.854700      0.8101000    
 H   -5.445000       3.032900     -0.9740000    
 H   -5.051800       4.329700      0.1500000    


%chk=000006768-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006768

0 1
O 0.265448 1.507714 0.264383
O -4.189044 2.651376 1.236260
N 2.346934 -0.972973 -0.781287
N -2.980389 -2.372096 -0.965997
C 3.936235 1.080559 -0.897956
C 3.783224 0.630585 0.595295
C 2.527994 1.468397 -1.424924
C 1.592932 0.216757 -1.332244
C 4.502636 -0.072539 -1.771442
C 2.880204 -0.669193 0.582613
C 3.494006 -1.274222 -1.698319
C 0.313721 0.485177 -0.483899
C 5.100467 0.394113 1.295649
C -0.846673 -0.457170 -0.614563
C 5.529130 1.057096 2.399381
C -2.203259 -0.106723 -0.211964
C -0.627747 -1.739115 -1.153769
C -3.233446 -1.117479 -0.431647
C -2.590686 1.140545 0.355843
C -1.706497 -2.658026 -1.302182
C -4.589388 -0.826947 -0.082700
C -3.932838 1.390050 0.685685
C -4.948481 0.402209 0.466584
C -5.564578 2.971126 1.630746
H 4.606683 1.957279 -0.946055
H 3.241663 1.437242 1.126396
H 2.598740 1.817674 -2.472120
H 2.111264 2.289855 -0.815614
H 1.256120 -0.085441 -2.342836
H 5.507518 -0.372757 -1.422903
H 4.617626 0.282114 -2.812932
H 3.459403 -1.552738 0.907952
H 2.034597 -0.556696 1.282107
H 3.078424 -1.512220 -2.694841
H 3.984231 -2.188139 -1.316727
H 5.741462 -0.397183 0.872596
H 6.491960 0.830894 2.871574
H 4.924342 1.846388 2.863936
H 0.393153 -2.045151 -1.401619
H -1.842925 1.907549 0.560566
H -1.524801 -3.659704 -1.708190
H -5.329397 -1.611451 -0.267039
H -5.993083 0.600258 0.723519
H -5.933140 2.276594 2.410053
H -6.249108 2.955470 0.760766
H -5.511135 3.990442 2.039766


