%chk=000128578.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128578

0 1
 O   0.5244000      -1.636200     -0.1429000    
 O  -0.4945000       1.618000     -0.3049000    
 O   6.3000000E-03  -3.456700      -2.453700    
 O    5.727800       1.591900       1.516100    
 N   -2.085500      -3.311600      0.5983000    
 C  -0.2985000      -3.691600      -1.075900    
 C   -1.702500      -3.149500     -0.7978000    
 C   -3.400700      -2.737600      0.8475000    
 C   0.7832000      -3.036500     -0.2200000    
 C   -2.561800       2.755300      0.1034000    
 C   -3.824500       3.344400     -0.5213000    
 C    1.587800      0.4821000     -0.4993000    
 C   -1.652900       2.132400     -0.9468000    
 C    1.600700     -0.8153000      1.2700000E-02
 C   0.3882000       1.003800      -1.234300    
 C   -4.711100       4.004800      0.5341000    
 C   -3.297000      -1.222300      0.9967000    
 C   -4.002800      -3.371300       2.097600    
 C    2.698600       1.309000     -0.3316000    
 C    2.724300      -1.285900      0.6924000    
 C    3.822200      0.8385000      0.3479000    
 C    3.834900     -0.4590000      0.8599000    
 C   -5.953000       4.622300     -8.8900000E-02
 C    4.979700       1.700900      0.5240000    
 C    5.306700       2.770000     -0.5131000    
 H  -0.2682000      -4.777200     -0.9306000    
 H   -1.752800      -2.102200      -1.117700    
 H   -2.407900      -3.685300      -1.447400    
 H   -4.084300      -2.967200      1.9600000E-02
 H    1.756500      -3.246200     -0.6824000    
 H   0.7584000      -3.450600      0.7945000    
 H   -2.087000      -4.306600      0.8224000    
 H   -2.825600       1.999000      0.8532000    
 H   -2.007800       3.532700      0.6445000    
 H   -4.386400       2.553100      -1.032400    
 H   -3.546400       4.085300      -1.280900    
 H   -1.356900       2.887800      -1.684200    
 H   -2.178500       1.320900      -1.463600    
 H   0.7011000       1.736100      -1.989600    
 H  -0.1246000      0.1934000      -1.766600    
 H   -5.013200       3.263400       1.282900    
 H   -4.147900       4.785400       1.058800    
 H   -2.591100     -0.9447000       1.787900    
 H   -2.974500     -0.7366000      7.1000002E-02
 H   -4.271400     -0.7951000       1.259200    
 H   -3.379800      -3.189000       2.980600    
 H   -4.113100      -4.454900       1.978400    
 H   -4.997600      -2.959200       2.299500    
 H    2.668700       2.323100     -0.7224000    
 H    2.767200      -2.277300       1.133300    
 H   3.9500002E-02  -2.494200      -2.589900    
 H    4.700600     -0.8415000       1.394700    
 H   -5.684400       5.392900     -0.8186000    
 H   -6.555800       3.862700     -0.5969000    
 H   -6.573200       5.087500      0.6836000    
 H    4.796100       3.700300     -0.2529000    
 H    5.014400       2.442200      -1.514400    
 H    6.388100       2.936800     -0.5247000    


%chk=000128578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128578

0 1
O 0.504382 -1.436399 -1.321186
O -0.482166 1.467917 -0.641722
O -1.371803 -2.565218 -3.033708
O 5.904675 0.254168 1.786727
N -2.346313 -2.779282 0.617195
C -1.283612 -2.992737 -1.628354
C -2.282233 -2.203932 -0.743546
C -2.698524 -1.846309 1.727827
C 0.152283 -2.861482 -1.106666
C -2.776673 2.237280 -0.399264
C -4.002839 2.910027 -1.058205
C 1.757461 0.519862 -0.774009
C -1.579233 2.148794 -1.349742
C 1.619202 -0.898429 -0.686862
C 0.720061 1.344907 -1.495646
C -5.223583 2.990907 -0.113120
C -1.498459 -0.941099 2.083447
C -3.139914 -2.682742 2.946395
C 2.875716 1.120019 -0.166224
C 2.582001 -1.680394 0.001814
C 3.855194 0.357194 0.526714
C 3.686163 -1.051419 0.599625
C -6.451503 3.651612 -0.775614
C 5.053625 0.972875 1.179403
C 5.238725 2.486942 1.102616
H -1.558510 -4.063240 -1.643173
H -1.929726 -1.159182 -0.671099
H -3.262153 -2.190462 -1.271596
H -3.554806 -1.187557 1.433138
H 0.852407 -3.498683 -1.678912
H 0.172033 -3.101635 -0.027808
H -2.937344 -3.621430 0.642436
H -3.043400 1.214610 -0.066797
H -2.475271 2.799035 0.505917
H -4.288704 2.348623 -1.972392
H -3.733806 3.934275 -1.391846
H -1.252530 3.166251 -1.665457
H -1.847902 1.576301 -2.267865
H 1.119635 2.358312 -1.717042
H 0.433970 0.864319 -2.456360
H -5.488870 1.968634 0.225441
H -4.942339 3.557045 0.797977
H -0.657815 -1.559885 2.448380
H -1.144987 -0.351156 1.219287
H -1.781394 -0.227436 2.880078
H -2.325413 -3.365284 3.252414
H -4.037380 -3.290566 2.718794
H -3.382500 -2.027302 3.801091
H 2.974151 2.209687 -0.228958
H 2.475604 -2.766939 0.062218
H -0.934938 -1.675652 -3.092557
H 4.445448 -1.632174 1.134158
H -6.220893 4.684751 -1.097722
H -6.771697 3.085316 -1.670543
H -7.309843 3.698685 -0.080633
H 4.384388 3.016726 1.564055
H 5.311824 2.826180 0.052325
H 6.162326 2.761470 1.634150


