%chk=000117205.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117205

0 1
 O  -0.1760000     -0.3935000      0.1520000    
 O    2.796300       1.464000      0.2327000    
 O   -1.539600     -0.1215000       1.980000    
 O    3.327400       2.743600      -1.605900    
 N   -2.350100      0.1005000     -0.1824000    
 N    3.289700       3.649400      0.5072000    
 C    2.221200     -0.9325000      0.2117000    
 C    2.048200      -2.126700     -0.7734000    
 C   0.9248000     -0.6564000       1.010800    
 C    2.623200      0.3269000     -0.6018000    
 C    3.356900      -1.214600       1.215400    
 C    1.654800      -3.462700     -0.1319000    
 C    1.460000      -4.543100      -1.186700    
 C   -1.375800     -0.1356000      0.7644000    
 C   -3.725400      0.4031000      0.1403000    
 C    3.152600       2.625900     -0.3977000    
 C   -3.782800       1.686300      0.9768000    
 C   -4.324400     -0.7625000      0.9338000    
 C   -4.482500      0.5962000      -1.113200    
 C   -5.098500      0.7532000      -2.132200    
 H    1.292500      -1.862600      -1.525100    
 H    2.986400      -2.269800      -1.326500    
 H   0.6835000      -1.511600       1.653400    
 H    1.069900      0.2084000       1.671100    
 H    3.561600      0.1344000      -1.138400    
 H    1.848500      0.5486000      -1.346900    
 H    3.538300     -0.3583000       1.874700    
 H    4.295300      -1.440000      0.6965000    
 H    3.120700      -2.065200       1.863000    
 H   0.7205000      -3.361900      0.4290000    
 H    2.427800      -3.793900      0.5689000    
 H    1.182700      -5.489900     -0.7124000    
 H   0.6650000      -4.268800      -1.887400    
 H    2.380600      -4.705400      -1.756400    
 H   -2.069300      5.5599999E-02  -1.158200    
 H   -3.310800       1.578200       1.958200    
 H   -3.283500       2.517500      0.4634000    
 H   -4.821100       1.993000       1.154900    
 H   -4.218000      -1.709400      0.3901000    
 H   -3.860700     -0.8956000       1.916000    
 H   -5.396900     -0.6088000       1.107200    
 H    3.550800       4.584200      0.2121000    
 H    3.134100       3.502100       1.498700    
 H   -5.644600      0.8923000      -3.035700    


%chk=000117205-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000117205

0 1
O -0.299158 -1.119418 0.377166
O 1.919482 1.111678 0.599420
O -0.905937 0.664623 1.823077
O 2.160782 2.927835 -0.889370
N -2.227226 -0.012326 -0.007751
N 0.975580 3.085546 1.146914
C 2.192692 -1.273904 0.232496
C 2.167680 -2.334452 -0.912735
C 0.945489 -1.379636 1.146535
C 2.231058 0.117223 -0.445997
C 3.437597 -1.435316 1.146167
C 2.317664 -3.811976 -0.483074
C 2.230411 -4.770157 -1.691742
C -1.134765 -0.072528 0.823891
C -3.355461 0.961127 0.145319
C 1.718944 2.443057 0.182282
C -2.837482 2.420042 -0.025505
C -4.040193 0.779421 1.532768
C -4.329139 0.652203 -0.932316
C -5.151368 0.414970 -1.818621
H 1.215002 -2.221324 -1.468830
H 2.982179 -2.093414 -1.628738
H 0.843281 -2.401861 1.550443
H 1.003961 -0.649757 1.970420
H 3.227448 0.324148 -0.878105
H 1.473261 0.193803 -1.248208
H 3.545610 -0.557136 1.807085
H 4.355724 -1.523316 0.536343
H 3.368181 -2.337244 1.781119
H 1.526585 -4.077890 0.245783
H 3.286120 -3.962106 0.031712
H 2.341187 -5.824930 -1.380165
H 1.256962 -4.669049 -2.207391
H 3.024653 -4.550185 -2.429994
H -2.269871 -0.689249 -0.771132
H -2.089704 2.634818 0.755109
H -2.371729 2.552398 -1.016334
H -3.676826 3.129806 0.070071
H -4.424507 -0.248766 1.641210
H -3.307110 0.978262 2.331392
H -4.883875 1.483834 1.629361
H 0.794747 4.080162 1.045516
H 0.486823 2.520688 1.845066
H -5.871455 0.213395 -2.590561


