%chk=000087343.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087343

0 1
 O    2.476100      -1.632600     -0.6914000    
 O   -1.717200      -3.671400      8.6400002E-02
 O  -0.8143000       2.259300     -0.4030000    
 O   -3.777100      -2.128200      0.3180000    
 O    4.609300     -0.3261000      0.5286000    
 O    5.065200       2.299800     -0.3229000    
 N    1.379900      0.8949000     -0.6669000    
 C  -0.8396000     -0.1074000     -0.2598000    
 C   -1.617100      -1.251900     -7.1000002E-02
 C   -2.917300       1.344200     -1.8400000E-02
 C   -3.695000      0.1996000      0.1704000    
 C   0.5395000     -0.2269000     -0.4694000    
 C   -1.461300       1.232400     -0.2406000    
 C   -3.073100      -1.140100      0.1512000    
 C    1.134900      -1.488600     -0.4891000    
 C   -1.015500      -2.516000     -9.1499999E-02
 C   0.3590000      -2.630700     -0.3005000    
 C   -3.518900       2.608300      2.0999999E-03
 C   -5.074100      0.3191000      0.3797000    
 C    3.221500      -2.268000      0.3442000    
 C   -4.893600       2.722900      0.2107000    
 C   -5.669600       1.580700      0.3992000    
 C    4.641100      -1.734400      0.3311000    
 C    5.916900      0.2295000      0.5254000    
 C    5.818500       1.727700      0.7395000    
 C    4.921800       3.704100     -0.1619000    
 H   0.8255000      -3.612700     -0.3264000    
 H   -2.938400       3.515400     -0.1420000    
 H   -5.702400     -0.5548000      0.5294000    
 H    2.767600      -2.055700       1.320800    
 H    3.225600      -3.350300      0.1766000    
 H   -5.359800       3.703800      0.2263000    
 H   -6.739600       1.672800      0.5615000    
 H    2.372500      0.7554000     -0.8059000    
 H    1.007300       1.833300     -0.6592000    
 H    5.104200      -1.944500     -0.6401000    
 H    5.227800      -2.211900       1.123500    
 H   -1.113000      -4.431800      3.7400000E-02
 H    6.516300     -0.2221000       1.323500    
 H    6.387900      2.4800001E-02 -0.4431000    
 H    6.820900       2.168900      0.7638000    
 H    5.307500       1.933000       1.687400    
 H    4.385200       3.931400      0.7643000    
 H    4.341100       4.089400      -1.004300    
 H    5.901100       4.192400     -0.1604000    


%chk=000087343-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087343

0 1
O 2.610013 -2.251112 -0.388074
O -1.993816 -3.727496 -0.737690
O -0.202011 2.061857 0.332592
O -3.926327 -1.970103 -0.381612
O 4.558877 -0.267630 0.696498
O 4.293796 2.295626 -0.572601
N 1.768125 0.388341 0.080598
C -0.599457 -0.301681 -0.055509
C -1.570356 -1.361602 -0.263952
C -2.494869 1.380207 0.189146
C -3.451486 0.347115 0.002821
C 0.821385 -0.580390 -0.076217
C -1.038068 1.084729 0.163333
C -3.033471 -1.073152 -0.229160
C 1.233962 -1.948779 -0.293132
C -1.097107 -2.679227 -0.508402
C 0.301556 -2.953764 -0.515426
C -2.930160 2.713744 0.404086
C -4.834707 0.657479 0.033881
C 3.370755 -2.347264 0.889357
C -4.304462 3.014499 0.432947
C -5.261316 1.981717 0.247150
C 4.740013 -1.722318 0.662224
C 5.702306 0.494120 0.177009
C 5.384461 1.972981 0.345874
C 3.814449 3.670215 -0.419830
H 0.671039 -3.969403 -0.706158
H -2.167916 3.486080 0.544096
H -5.545502 -0.161772 -0.112974
H 2.837512 -1.819634 1.702286
H 3.471240 -3.418738 1.148492
H -4.637228 4.045068 0.598833
H -6.331199 2.216526 0.269644
H 2.778126 0.184963 0.054713
H 1.408071 1.346765 0.214385
H 5.136636 -2.048043 -0.322220
H 5.446971 -2.038114 1.460124
H -1.491740 -4.565579 -0.912889
H 6.621823 0.239571 0.747540
H 5.861517 0.257141 -0.895479
H 6.289636 2.577034 0.108723
H 5.088000 2.176467 1.398287
H 3.435291 3.856052 0.607076
H 2.989116 3.787572 -1.138309
H 4.613824 4.406936 -0.648883


