%chk=000099827.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099827

0 1
 O   -5.103300      -1.941000      -1.479800    
 O   -3.401000       3.677500      0.8469000    
 O  -1.2000001E-03  -2.252400       2.562900    
 O    6.298400       1.608100     -0.4157000    
 N   -3.710400      -2.038000      -1.863100    
 N  -0.9166000      -2.617300       1.575200    
 C   -2.957300      -1.747500     -0.6378000    
 C   -1.495500      -2.200100     -0.8256000    
 C   -3.076600     -0.2859000     -0.2378000    
 C  -0.6742000      -2.012600      0.4490000    
 C   -2.577000      0.6822000      -1.086000    
 C   -3.681200      3.1599998E-02  0.9620000    
 C   -2.686600       2.023500     -0.7191000    
 C   -3.791000       1.372800       1.328900    
 C   -3.293500       2.368900      0.4884000    
 C   0.4722000      -1.064200      0.3427000    
 C    1.692800      -1.548500      7.6300003E-02
 C    2.901400     -0.7194000     -5.3300001E-02
 C    4.148400      -1.309200      8.7200001E-02
 C    2.773100      0.6364000     -0.3131000    
 C    5.294800     -0.5239000     -3.5100002E-02
 C    3.919400       1.421600     -0.4355000    
 C    5.180400      0.8415000     -0.2965000    
 C   -2.871400       4.644500     -5.8899999E-02
 C    7.555800      0.9514000     -0.2622000    
 H   -3.373500      -2.368200      0.1693000    
 H   -1.013700      -1.671700      -1.657200    
 H   -1.462500      -3.270400      -1.067800    
 H   -3.641500      -3.030200      -2.086500    
 H   -2.106100      0.4295000      -2.031200    
 H   -4.071700     -0.7347000       1.624600    
 H   -2.279900       2.745700      -1.418800    
 H   -4.264700       1.635700       2.270800    
 H   0.2356000     -1.8700000E-02  0.4931000    
 H    1.832600      -2.620500     -4.4100001E-02
 H   -5.423400      -1.352800      -2.184500    
 H    4.253000      -2.371500      0.2923000    
 H    1.814000       1.126200     -0.4496000    
 H    6.242300      -1.038400      8.4600002E-02
 H    3.824600       2.483900     -0.6437000    
 H   -3.042200       5.630700      0.3849000    
 H   -1.788600       4.531500     -0.1801000    
 H   -3.400200       4.629500      -1.017900    
 H  -0.3119000      -2.776000       3.320600    
 H    7.714300      0.1985000      -1.041800    
 H    7.673000      0.5370000      0.7448000    
 H    8.334500       1.710700     -0.3881000    


%chk=000099827-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099827

0 1
O -5.488062 -1.196857 0.152700
O -1.322247 3.784518 -0.052903
O 0.426094 -4.474370 0.928012
O 5.244991 2.348390 0.172177
N -4.474126 -1.810315 -0.771120
N -0.839987 -4.158351 0.250089
C -3.123688 -1.699247 -0.125535
C -2.184651 -2.634659 -0.958351
C -2.684387 -0.238105 -0.118763
C -0.851353 -2.931221 -0.272610
C -2.805746 0.552351 -1.286164
C -2.123020 0.354617 1.040249
C -2.370611 1.896851 -1.314615
C -1.678051 1.689860 1.031932
C -1.797886 2.465772 -0.148444
C 0.170475 -1.888126 -0.284706
C 1.438625 -1.921664 0.255694
C 2.401480 -0.815102 0.226837
C 3.736015 -1.056147 0.657934
C 2.075159 0.512493 -0.195560
C 4.718584 -0.044870 0.655158
C 3.037157 1.530390 -0.199469
C 4.367271 1.257510 0.220061
C -1.438015 4.632780 -1.240986
C 6.628399 2.126924 0.603023
H -3.153521 -2.076789 0.919630
H -2.010296 -2.180346 -1.950964
H -2.700106 -3.601743 -1.113631
H -4.766794 -2.804852 -0.780529
H -3.262271 0.108700 -2.178802
H -2.027295 -0.238407 1.957209
H -2.481210 2.481089 -2.233425
H -1.239159 2.151363 1.921569
H -0.151540 -0.975797 -0.801918
H 1.769665 -2.843315 0.742893
H -5.692751 -0.333594 -0.293033
H 4.008765 -2.063527 0.995805
H 1.051577 0.755861 -0.499554
H 5.733984 -0.276899 0.989779
H 2.786844 2.549515 -0.509478
H -1.012452 5.602495 -0.943796
H -0.862388 4.218333 -2.091860
H -2.496038 4.765965 -1.540380
H 0.257650 -5.399011 1.243707
H 7.129399 1.368479 -0.029277
H 6.673473 1.814875 1.664431
H 7.125942 3.099982 0.480682


