%chk=000129462.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129462

0 1
 O   -1.635700      -2.319500       1.288100    
 O   -4.892900      0.1973000      0.1044000    
 O   -3.250300      3.5599999E-02  -1.456400    
 N   0.7359000       1.168600     -0.4634000    
 C    1.684900      -2.492200     -0.3133000    
 C    2.062700     -0.9820000     -0.2954000    
 C   0.8416000     -0.1515000     -0.1227000    
 C   0.6722000      -2.830500      0.8189000    
 C  -0.3654000     -0.5605000      0.4016000    
 C  -0.5592000      -1.923800      0.8500000    
 C   -1.238300      0.5524000      0.3687000    
 C  -0.5308000       1.608200     -0.1688000    
 C    2.963600      -3.323200     -9.8700002E-02
 C    1.089500      -2.880300      -1.683600    
 C    1.785700       1.976300      -1.046400    
 C    2.670200       2.691000     -9.4999997E-03
 C   -2.644400      0.5892000      0.8202000    
 C  -0.9541000       3.001600     -0.4271000    
 C    3.330500       1.707000      0.9589000    
 C    1.832200       3.703600      0.7735000    
 C   -3.598100      0.2327000     -0.2989000    
 H    2.618100     -0.7327000      -1.204500    
 H    2.723000     -0.8207000      0.5612000    
 H    1.157000      -2.734900       1.798900    
 H   0.3283000      -3.867300      0.7194000    
 H    3.425900      -3.099000      0.8692000    
 H    2.745900      -4.397000     -0.1209000    
 H    3.705400      -3.115700     -0.8782000    
 H   0.8471000      -3.948500      -1.717900    
 H   0.1711000      -2.328400      -1.907900    
 H    1.800900      -2.677100      -2.492200    
 H    1.351700       2.687900      -1.753700    
 H    2.409000       1.325000      -1.667900    
 H    3.457200       3.233100     -0.5479000    
 H   -2.904900       1.592600       1.176600    
 H   -2.806600     -0.1049000       1.650700    
 H   -1.996100       3.006400     -0.7701000    
 H  -0.9313000       3.594100      0.4919000    
 H  -0.3956000       3.522400      -1.204900    
 H    4.009000       2.250700       1.627300    
 H    2.609500       1.194800       1.601600    
 H    3.944100      0.9816000      0.4177000    
 H    2.491900       4.302100       1.413700    
 H    1.328200       4.408900      0.1073000    
 H    1.110900       3.227300       1.442700    
 H   -5.501000     -1.5000000E-02 -0.6354000    


%chk=000129462-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129462

0 1
O -1.622357 -2.470582 1.397903
O -5.024750 0.528876 0.020905
O -3.415507 0.535009 -1.649195
N 0.748769 1.145902 -0.386065
C 1.724883 -2.561099 -0.278508
C 2.126213 -1.051035 -0.169183
C 0.902916 -0.189214 -0.016741
C 0.730618 -2.905196 0.873303
C -0.338242 -0.642716 0.479149
C -0.522006 -2.015312 0.939096
C -1.283158 0.449428 0.387530
C -0.601552 1.541165 -0.153997
C 2.999302 -3.428287 -0.129882
C 1.069540 -2.848995 -1.655149
C 1.795516 2.006032 -0.979080
C 2.701769 2.791173 0.021445
C -2.742718 0.375824 0.752259
C -1.155070 2.869274 -0.585349
C 3.524420 1.860823 0.941812
C 1.925427 3.831771 0.860615
C -3.691066 0.488002 -0.431145
H 2.717796 -0.766356 -1.062893
H 2.803107 -0.933201 0.702362
H 1.255518 -2.804533 1.847833
H 0.394847 -3.955997 0.799851
H 3.484422 -3.269911 0.852357
H 2.754443 -4.502995 -0.217179
H 3.737467 -3.186684 -0.918744
H 0.761444 -3.908766 -1.721623
H 0.174080 -2.224925 -1.820766
H 1.783087 -2.651112 -2.477553
H 1.295533 2.725028 -1.652659
H 2.440251 1.365173 -1.609156
H 3.415010 3.342920 -0.628776
H -3.040920 1.147116 1.488287
H -2.934505 -0.602951 1.235281
H -2.162696 3.001135 -0.157151
H -0.542973 3.727216 -0.260620
H -1.270227 2.923856 -1.685852
H 4.209883 2.456318 1.571980
H 2.861430 1.287956 1.615171
H 4.135028 1.144538 0.362227
H 2.615332 4.365039 1.539821
H 1.434249 4.588996 0.222052
H 1.153020 3.343403 1.482510
H -5.629074 0.563591 -0.769682


