%chk=000088758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088758

0 1
 O   -2.555400       1.729800      -1.669400    
 O   -2.188000       1.632000       1.979600    
 O   -4.638300     -1.8900000E-02  -1.088400    
 O   -6.380600       1.764200      0.1794000    
 N   0.1776000       1.278700      0.4434000    
 N    1.602500      -1.172400      0.5720000    
 N    1.236700      -1.693000     -0.5072000    
 C   -2.679300       1.195200     -0.3523000    
 C   -2.079200       2.184100      0.6669000    
 C   -4.163700      0.8815000     -8.5400000E-02
 C  -0.6037000       2.495100      0.3892000    
 C   -5.036100       2.135700     -0.1084000    
 C    1.548500       1.239800      0.2573000    
 C    2.262800       2.426200     -1.3000000E-03
 C    2.272100      3.1500001E-02  0.3172000    
 C    3.644300       2.406200     -0.1926000    
 C    4.339800       1.198700     -0.1289000    
 C    3.653700      1.1300000E-02  0.1260000    
 C    4.357600       3.689800     -0.4650000    
 C    5.818600       1.152400     -0.3319000    
 C   0.5652000      -2.900900     -0.2520000    
 C  -0.8126000      -2.897300     -5.9300002E-02
 C    1.283500      -4.090900     -0.1943000    
 C   -1.479100      -4.096300      0.1938000    
 C   0.6170000      -5.289900      5.8800001E-02
 C  -0.7643000      -5.292500      0.2529000    
 H   -2.136400      0.2450000     -0.3420000    
 H   -2.616500       3.137700      0.6455000    
 H   -4.271500      0.3671000      0.8765000    
 H  -0.5060000       2.975400     -0.5911000    
 H  -0.2453000       3.191800       1.157000    
 H  -0.2714000      0.4145000      0.7258000    
 H   -4.738700       2.877200      0.6362000    
 H   -5.038600       2.603000      -1.097800    
 H   -2.947800       1.086400      -2.284000    
 H   -1.827400       2.284700       2.603600    
 H    1.749300       3.382800     -5.7799999E-02
 H   -5.575800     -0.1964000     -0.9003000    
 H    4.190200     -0.9335000      0.1777000    
 H    4.852900       3.655800      -1.440800    
 H    5.100700       3.890400      0.3135000    
 H    3.670500       4.543000     -0.4821000    
 H    6.330900       1.755400      0.4247000    
 H    6.208200      0.1317000     -0.2489000    
 H    6.082600       1.518100      -1.329500    
 H   -6.392100       1.372200       1.069200    
 H   -1.377900      -1.971700     -0.1038000    
 H    2.359700      -4.097900     -0.3450000    
 H   -2.554700      -4.098200      0.3448000    
 H    1.173500      -6.221500      0.1046000    
 H   -1.283200      -6.226000      0.4499000    


%chk=000088758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088758

0 1
O -2.666796 3.352614 -0.786752
O -2.341176 0.828836 1.853496
O -4.587954 1.680207 -1.638887
O -6.493158 1.804494 0.329896
N 0.168309 1.267966 0.644671
N 1.260339 -1.125655 0.054406
N 1.785565 -2.293614 -0.248975
C -2.686284 1.994705 -0.232216
C -2.077189 2.117802 1.173958
C -4.130758 1.447849 -0.253635
C -0.567512 2.432164 1.119755
C -5.102053 2.157560 0.707388
C 1.465336 1.266388 0.178788
C 2.240470 2.452307 0.012439
C 2.075375 0.001547 -0.163676
C 3.553975 2.409810 -0.492264
C 4.154234 1.148694 -0.848078
C 3.404083 -0.023193 -0.672678
C 4.335337 3.699059 -0.660720
C 5.568590 1.090010 -1.397922
C 0.925839 -3.413219 -0.011439
C 1.496183 -4.681214 -0.308287
C -0.411333 -3.343152 0.479096
C 0.749839 -5.862410 -0.116673
C -1.149504 -4.526892 0.666955
C -0.576045 -5.790711 0.372353
H -2.062856 1.319609 -0.853869
H -2.585086 2.950258 1.703204
H -4.115558 0.361504 -0.034533
H -0.439999 3.292568 0.435377
H -0.216941 2.753968 2.128637
H -0.252664 0.339166 0.768630
H -4.891509 1.886842 1.758537
H -5.049864 3.250639 0.577271
H -3.244122 3.305882 -1.598122
H -1.973803 0.865787 2.773037
H 1.808379 3.422517 0.278152
H -5.583858 1.693896 -1.603792
H 3.824031 -1.002737 -0.923711
H 4.635041 3.853019 -1.715365
H 5.270243 3.686202 -0.067645
H 3.744257 4.575078 -0.345238
H 6.306037 1.511970 -0.687329
H 5.865144 0.048940 -1.609554
H 5.668425 1.665890 -2.338798
H -6.703836 0.898294 0.670857
H 2.523818 -4.706898 -0.686096
H -0.845026 -2.362857 0.699608
H 1.198058 -6.835110 -0.347791
H -2.178225 -4.472677 1.042368
H -1.158999 -6.706600 0.521166


