%chk=000043455.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043455

0 1
 O    1.652000     -0.6662000      0.7749000    
 O    2.683900     -0.9501000      -1.257300    
 N   -1.201500     -9.3800001E-02  0.3302000    
 N    3.725500      0.1334000      0.5099000    
 C   -2.613500     -0.2281000     -4.1900001E-02
 C  -0.3544000     -0.5904000     -0.7817000    
 C  -0.7893000      -1.279600       1.120500    
 C   -2.883900      0.5986000      -1.316300    
 C   -3.496500      0.2854000       1.114600    
 C   0.4761000      -1.360100      0.2549000    
 C   -2.758100       2.107100      -1.090500    
 C   -3.370500       1.793600       1.341200    
 C   -3.640700       2.578300      6.1099999E-02
 C   -2.918900      -1.649900     -0.3022000    
 C    2.686600     -0.5348000     -0.1031000    
 C   -3.167500      -2.805000     -0.5138000    
 C    4.977800      0.4399000     -0.1421000    
 C    4.890600       1.790700     -0.8470000    
 C    6.102400      0.4310000      0.8884000    
 H   0.1770000      0.2078000      -1.311400    
 H  -0.7841000      -1.256400      -1.540200    
 H   -1.331800      -2.225800       1.160800    
 H  -0.5832000      -1.026700       2.169300    
 H   -3.911800      0.3979000      -1.654200    
 H   -2.255800      0.3072000      -2.166300    
 H   -3.266200     -0.2394000       2.051600    
 H   -4.550200      5.6100000E-02  0.9001000    
 H   0.7362000      -2.385000     -3.6400001E-02
 H   -3.043400       2.637200      -2.006600    
 H   -1.713500       2.370900     -0.8873000    
 H   -2.368100       2.033500       1.715500    
 H   -4.078700       2.106000       2.117200    
 H   -3.473700       3.646400      0.2408000    
 H   -4.695200       2.463900     -0.2191000    
 H   -3.386800      -3.830100     -0.7012000    
 H    3.577900      0.4658000       1.458500    
 H    5.175900     -0.3350000     -0.8920000    
 H    5.831900       2.028400      -1.353100    
 H    4.670600       2.595900     -0.1370000    
 H    4.093700       1.788200      -1.598600    
 H    6.165500     -0.5432000       1.385600    
 H    7.068300      0.6320000      0.4135000    
 H    5.939900       1.187600       1.664300    


%chk=000043455-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043455

0 1
O 1.636518 -0.447717 0.759635
O 2.947181 -1.258662 -1.034255
N -1.339567 -0.159642 0.139412
N 3.799848 0.237248 0.566764
C -2.791528 -0.263578 -0.179186
C -0.307558 -0.568762 -0.888929
C -0.721288 -1.078813 1.169235
C -3.116047 0.722155 -1.347665
C -3.613729 0.134450 1.088657
C 0.512719 -1.252068 0.245745
C -2.901439 2.197405 -0.942568
C -3.399249 1.612469 1.484063
C -3.732028 2.562466 0.309869
C -3.155872 -1.653845 -0.588499
C 2.826223 -0.545072 -0.002641
C -3.369205 -2.826154 -0.912818
C 5.148621 0.367916 -0.030105
C 5.153525 1.396611 -1.185720
C 6.157976 0.729104 1.077387
H 0.182828 0.272728 -1.406327
H -0.672888 -1.309130 -1.630928
H -1.270755 -2.033451 1.309366
H -0.525287 -0.603591 2.145051
H -4.170108 0.559865 -1.646329
H -2.492583 0.462933 -2.224703
H -3.340498 -0.537130 1.925130
H -4.684088 -0.048011 0.870149
H 0.864744 -2.272941 0.038290
H -3.173617 2.853616 -1.792169
H -1.829094 2.360961 -0.724615
H -2.343014 1.760112 1.778728
H -4.027792 1.850675 2.364356
H -3.537123 3.611984 0.603063
H -4.813723 2.488200 0.069809
H -3.586835 -3.837509 -1.203169
H 3.550507 0.790591 1.388023
H 5.400377 -0.623775 -0.449999
H 6.151335 1.440211 -1.659777
H 4.900976 2.407298 -0.814460
H 4.418003 1.108152 -1.956159
H 6.161387 -0.031234 1.878455
H 7.176185 0.794138 0.656284
H 5.920462 1.712996 1.527149


