%chk=000060075.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060075

0 1
 O   -2.981700      0.3684000     -0.9342000    
 O  -0.4433000       1.458800      -1.278200    
 O  -0.1205000     -6.7500003E-02   1.220000    
 N   -2.022600      -3.682300     -0.2931000    
 C  -0.6835000      -4.067200      0.1649000    
 C   -2.271300      -2.276900     -2.0199999E-02
 C  -0.5753000      -3.831700       1.676100    
 C   0.3501000      -3.212700     -0.5766000    
 C  -0.4658000      -5.550200     -0.1539000    
 C   -3.666700      -1.884300     -0.4950000    
 C   -3.948500     -0.4095000     -0.2421000    
 C   -2.663500       1.586100     -0.3912000    
 C   -1.390400       2.129200     -0.5648000    
 C   -3.625100       2.283000      0.3407000    
 C   -1.079200       3.369100     -6.8000001E-03
 C   -3.313800       3.523000      0.8986000    
 C   -2.040900       4.066000      0.7249000    
 C   0.7167000       1.116900     -0.6431000    
 C    1.880500       1.017900      -1.307000    
 C    3.164300      0.6313000     -0.6998000    
 C   0.6229000      0.8319000      0.8248000    
 C    4.238100       1.521500     -0.7129000    
 C    3.307300     -0.6253000     -0.1112000    
 C    5.455000       1.155300     -0.1378000    
 C    4.524100     -0.9915000      0.4641000    
 C    1.435300       1.641500       1.803200    
 C    5.597900     -0.1012000      0.4507000    
 H   -2.727300      -4.253500      0.1730000    
 H   -2.223000      -2.041000       1.046800    
 H   -1.565800      -1.637100     -0.5546000    
 H  -0.5017000      -2.775300       1.952300    
 H   -1.419800      -4.274400       2.217500    
 H   0.3341000      -4.305400       2.066800    
 H   0.3827000      -2.176600     -0.2360000    
 H   0.1791000      -3.217200      -1.659800    
 H    1.357400      -3.615900     -0.4143000    
 H   -1.200100      -6.181800      0.3599000    
 H  -0.5534000      -5.743900      -1.229500    
 H   0.5308000      -5.880600      0.1606000    
 H   -4.428500      -2.489800      1.0700000E-02
 H   -3.747600      -2.083200      -1.571500    
 H   -3.914700     -0.2420000      0.8425000    
 H   -4.947900     -0.1596000     -0.6159000    
 H   -4.636700       1.911900      0.4757000    
 H  -9.6799999E-02   3.813500     -0.1438000    
 H   -4.064500       4.069500       1.462100    
 H   -1.799900       5.033400       1.155600    
 H    1.916900       1.251600      -2.368100    
 H    4.141100       2.504700      -1.167000    
 H    2.490100      -1.337100     -9.5500000E-02
 H    6.291000       1.848500     -0.1477000    
 H    4.636000      -1.970400      0.9210000    
 H    1.902800       2.500200       1.314300    
 H    2.207700       1.013000       2.252300    
 H   0.7704000       2.023200       2.583400    
 H    6.545400     -0.3865000      0.8984000    


%chk=000060075-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060075

0 1
O -2.752119 0.374535 -0.908323
O -0.323322 1.544317 -0.986667
O -0.118708 0.081347 1.469700
N -2.118793 -3.784091 -0.300690
C -0.939810 -4.373710 0.413372
C -2.537927 -2.411160 0.051903
C -1.127116 -4.407120 1.961556
C 0.332698 -3.560948 0.062221
C -0.788373 -5.818707 -0.122329
C -3.574745 -1.886395 -0.964406
C -3.968112 -0.435680 -0.674208
C -2.663155 1.629822 -0.319519
C -1.371883 2.229654 -0.309527
C -3.741798 2.335706 0.269636
C -1.161340 3.488843 0.280423
C -3.528293 3.600518 0.865596
C -2.241525 4.179740 0.879448
C 0.904007 1.347976 -0.310602
C 2.037104 1.483072 -1.075520
C 3.408745 1.049894 -0.769865
C 0.798672 0.882493 1.127999
C 4.498979 1.735769 -1.382495
C 3.702859 -0.065834 0.069143
C 5.831772 1.355528 -1.127872
C 5.037120 -0.445859 0.322325
C 1.725628 1.508935 2.160236
C 6.108457 0.265689 -0.267632
H -2.916689 -4.436959 -0.260310
H -2.971046 -2.323022 1.080822
H -1.659865 -1.745448 0.022877
H -1.252942 -3.386253 2.365758
H -2.019318 -5.002673 2.236819
H -0.247852 -4.859858 2.457635
H 0.296554 -2.542648 0.489298
H 0.434166 -3.475996 -1.034028
H 1.229310 -4.066927 0.466080
H -1.693896 -6.419562 0.095238
H -0.639146 -5.804263 -1.216409
H 0.073575 -6.324613 0.348913
H -4.493453 -2.509639 -0.939868
H -3.151906 -1.962614 -1.982285
H -4.293678 -0.319273 0.380603
H -4.776338 -0.082687 -1.345954
H -4.746982 1.903772 0.264506
H -0.157739 3.928981 0.251627
H -4.374321 4.130622 1.316264
H -2.077555 5.160906 1.336328
H 1.872221 1.907376 -2.075750
H 4.289781 2.579599 -2.051222
H 2.882717 -0.662616 0.484255
H 6.654319 1.902037 -1.602411
H 5.241434 -1.311046 0.962784
H 2.687271 1.836570 1.739012
H 1.889772 0.813406 2.999165
H 1.206714 2.403249 2.561825
H 7.143771 -0.036956 -0.076178


