%chk=000052084.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052084

0 1
 O   -1.608200      -1.195000      0.2770000    
 O  -0.6061000       2.597400     -0.5535000    
 N    3.616000      0.8960000     -5.1800001E-02
 N  -1.1300000E-02  0.8024000      0.7884000    
 C    2.216500      0.5130000     -0.1862000    
 C    1.386000       1.147200      0.9198000    
 C    4.144300      0.4745000       1.247100    
 C    4.415200      0.3200000      -1.135300    
 C    5.583700      0.9265000       1.427100    
 C    3.884700      0.7443000      -2.494200    
 C  -0.5478000      -3.114400     -0.6846000    
 C  -0.9272000       1.560100      5.0799999E-02
 C   -2.306900       1.094300      3.5000000E-02
 C   -1.866100      -2.488100     -0.2526000    
 C   0.4161000      -3.264500      0.4889000    
 C   -2.605600     -0.2636000      0.1481000    
 C   -3.336400       2.026200     -9.7000003E-02
 C   -3.933800     -0.6894000      0.1295000    
 C    1.714700      -3.929700      6.1799999E-02
 C   -4.664500       1.600300     -0.1157000    
 C   -4.963300      0.2426000     -2.4999999E-03
 H    1.793000      0.8702000      -1.130900    
 H    2.093700     -0.5776000     -0.1729000    
 H    1.485700       2.238600      0.9125000    
 H    1.649600      0.7798000       1.914300    
 H    4.072100     -0.6112000       1.389100    
 H    3.607800      0.9543000       2.069800    
 H    5.445300      0.6881000      -1.091900    
 H    4.450800     -0.7755000      -1.080200    
 H  -0.3301000     -2.2500001E-02   1.287000    
 H    6.286900      0.3279000      0.8400000    
 H    5.713400       1.983400       1.169700    
 H    5.877000      0.8087000       2.476600    
 H    3.698900       1.822800      -2.541200    
 H    2.970800      0.2104000      -2.772800    
 H    4.627000      0.5091000      -3.265600    
 H  -0.7429000      -4.093400      -1.137200    
 H  -7.8900002E-02  -2.481900      -1.448600    
 H   -2.346300      -3.108200      0.5131000    
 H   -2.508000      -2.444100      -1.141800    
 H  -5.0299998E-02  -3.867600       1.276800    
 H   0.6469000      -2.287800      0.9268000    
 H   -3.126500       3.089400     -0.1813000    
 H   -4.214700      -1.731900      0.2444000    
 H    2.225300      -3.336600     -0.7037000    
 H    2.388600      -4.030100      0.9184000    
 H    1.529400      -4.929400     -0.3437000    
 H   -5.466400       2.326000     -0.2157000    
 H   -5.998000     -8.7700002E-02 -9.9999998E-03


%chk=000052084-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052084

0 1
O -1.688449 -1.631482 -0.070845
O -0.132291 2.325234 -0.392587
N 4.005459 0.959883 -0.490799
N 0.335850 0.112661 0.129703
C 2.627492 0.522867 -0.828156
C 1.741992 0.408885 0.444281
C 5.066839 -0.002980 -0.881939
C 4.294242 2.361163 -0.896348
C 6.356810 0.138982 -0.048994
C 3.423204 3.400209 -0.164062
C -1.133157 -3.909417 0.562463
C -0.521545 1.112400 -0.275981
C -1.957559 0.731286 -0.575093
C -2.255012 -2.989794 0.074194
C -0.618483 -3.579584 1.982698
C -2.531192 -0.575164 -0.480013
C -2.800724 1.794171 -0.986319
C -3.897270 -0.787177 -0.789761
C 0.500949 -4.538977 2.438899
C -4.159955 1.593557 -1.296036
C -4.706615 0.295028 -1.196575
H 2.137776 1.239858 -1.518164
H 2.647128 -0.457575 -1.346047
H 1.791469 1.368365 0.984935
H 2.136706 -0.381935 1.107159
H 5.319366 0.074994 -1.971842
H 4.664175 -1.021484 -0.724366
H 5.356936 2.566610 -0.671931
H 4.168136 2.489465 -2.003378
H -0.039800 -0.840737 0.185425
H 6.851152 1.113783 -0.209403
H 6.123762 0.047707 1.026469
H 7.080766 -0.650364 -0.325986
H 3.585420 3.334407 0.927029
H 2.345717 3.257417 -0.363041
H 3.696022 4.419687 -0.496108
H -1.522366 -4.948079 0.544946
H -0.296123 -3.874445 -0.162640
H -3.089765 -2.956902 0.804113
H -2.645335 -3.322487 -0.908587
H -1.465765 -3.628865 2.696417
H -0.251753 -2.535518 2.010306
H -2.335148 2.783594 -1.048124
H -4.336472 -1.785520 -0.718166
H 1.371813 -4.487919 1.758352
H 0.853654 -4.288017 3.455421
H 0.147770 -5.587488 2.453350
H -4.784245 2.435976 -1.610087
H -5.761482 0.117024 -1.433683


