%chk=000043589.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043589

0 1
 O   -1.160300       4.443200     -0.6995000    
 O    1.197900       4.434700      0.7116000    
 O   -2.082200       2.177600      -2.002100    
 O    2.117400       2.159400       1.996400    
 O   -3.176100      0.7440000      9.4599999E-02
 O    3.189700      0.7282000     -9.5399998E-02
 O   -1.705000     -0.6256000       1.221500    
 O    1.709300     -0.6170000      -1.239500    
 N   -5.135900      -1.071000      0.1488000    
 N    5.121600      -1.117400     -0.1320000    
 C  -0.3939000       3.240500     -0.6472000    
 C   0.4302000       3.233000      0.6514000    
 C   -1.328600       2.022800     -0.7929000    
 C    1.363800       2.013200      0.7859000    
 C   -2.337000       1.869200      0.3448000    
 C    2.371100       1.866400     -0.3524000    
 C   -2.736000     -0.4471000      0.5926000    
 C    2.736400     -0.4554000     -0.5996000    
 C   -3.738600      -1.496200      0.2642000    
 C    3.719000      -1.520400     -0.2625000    
 C   -3.419500      -2.794700      8.4700003E-02
 C    3.377900      -2.814100     -8.8299997E-02
 C   -2.026900      -3.366200      0.1664000    
 C   -4.461000      -3.837100     -0.2481000    
 C    1.977400      -3.363700     -0.1853000    
 C    4.399500      -3.873100      0.2536000    
 C   -6.241000     -0.7348000      5.7200000E-02
 C    6.230800     -0.7986000     -2.8999999E-02
 H   0.2706000       3.302700      -1.516200    
 H  -0.2312000       3.288100       1.523100    
 H  -0.7491000       1.100500     -0.9039000    
 H   0.7739000       1.097300      0.8963000    
 H   -1.858800       1.786100       1.325900    
 H   -3.001300       2.739700      0.3822000    
 H    1.895900       1.792400      -1.335600    
 H    3.046000       2.729000     -0.3798000    
 H   -1.683900       4.420900      -1.518800    
 H    1.724500       4.404300       1.528600    
 H   -1.446700       2.235900      -2.735800    
 H    2.684500       1.374000       2.082900    
 H   -1.883300      -4.132500     -0.6037000    
 H   -1.247500      -2.621800     -7.4000000E-03
 H   -1.865000      -3.830800       1.143900    
 H   -4.414400      -4.653100      0.4816000    
 H   -5.488200      -3.468100     -0.2446000    
 H   -4.267500      -4.254900      -1.242100    
 H    1.813500      -4.127800      0.5831000    
 H    1.207800      -2.607300     -1.9700000E-02
 H    1.818800      -3.825500      -1.164600    
 H    4.347700      -4.687300     -0.4778000    
 H    5.432300      -3.520100      0.2614000    
 H    4.189100      -4.289300       1.244800    


%chk=000043589-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043589

0 1
O -1.325866 4.708135 -0.580082
O 1.478559 4.691876 0.394688
O -1.844983 2.573526 -2.257686
O 1.954510 2.599844 2.133746
O -2.739057 0.616501 -0.179408
O 2.801599 0.559217 0.118662
O -1.150326 -0.342161 1.239871
O 1.170106 -0.412840 -1.241432
N -3.701087 -1.686981 -0.979597
N 3.719207 -1.737237 0.991777
C -0.363657 3.608159 -0.714391
C 0.492212 3.618093 0.561708
C -1.142176 2.300299 -0.987465
C 1.241658 2.302245 0.874852
C -2.158740 1.964111 0.114743
C 2.247452 1.908064 -0.218113
C -2.111851 -0.467209 0.436919
C 2.141410 -0.531159 -0.449255
C -2.739185 -1.758528 0.029978
C 2.747131 -1.821225 -0.007012
C -2.406027 -2.973334 0.602689
C 2.386513 -3.046007 -0.540123
C -1.375069 -3.111944 1.702608
C -3.072412 -4.253690 0.157792
C 1.345322 -3.197164 -1.628814
C 3.031354 -4.325081 -0.061207
C -4.520567 -1.585279 -1.860299
C 4.548743 -1.624516 1.861671
H 0.300361 3.784537 -1.586553
H -0.167853 3.835515 1.427599
H -0.449192 1.446492 -1.123291
H 0.529111 1.469975 1.040197
H -1.707275 1.945550 1.120324
H -3.018009 2.649082 0.083959
H 1.792988 1.865497 -1.221571
H 3.120846 2.575597 -0.211945
H -1.860727 4.715411 -1.417164
H 2.015178 4.710348 1.230526
H -2.418438 1.797940 -2.483603
H 2.513786 1.820564 2.381500
H -1.370681 -4.143278 2.092973
H -0.360823 -2.865157 1.335309
H -1.556160 -2.406592 2.531444
H -3.614600 -4.707399 1.010665
H -3.779965 -4.116129 -0.672815
H -2.304621 -4.992013 -0.145558
H 1.319889 -4.238824 -1.989931
H 0.338480 -2.921249 -1.262326
H 1.533453 -2.519325 -2.478803
H 3.559786 -4.814207 -0.903038
H 3.746134 -4.176626 0.761258
H 2.251261 -5.039226 0.267723


