%chk=000108591.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108591

0 1
 O   -2.895000     -0.7554000      -1.668800    
 O   -4.941400     -0.9499000      0.3196000    
 O   -1.818300      -1.695500       1.700600    
 O   -3.305000       2.306300     -4.0700000E-02
 O   -5.928600       3.163300     -0.2186000    
 O    5.789300       1.948700       1.243800    
 O    5.927300       1.983600     -0.9469000    
 N   0.1622000      -1.601100     -0.2682000    
 N    1.256000      -2.197200     -0.2086000    
 N    5.408200       1.558600      0.1136000    
 C   -2.632000     -0.5869000     -0.2763000    
 C   -3.883900      5.5999998E-03  0.3928000    
 C   -2.177200      -1.930100      0.3333000    
 C   -4.345200       1.338700     -0.2303000    
 C  -0.9588000      -2.545600     -0.3552000    
 C   -5.612600       1.917000      0.3975000    
 C    2.297100      -1.257300     -0.1280000    
 C    2.732900     -0.8145000       1.117300    
 C    2.884400     -0.7745000      -1.293600    
 C    4.357700      0.6069000      3.2299999E-02
 C    3.765600      0.1198000       1.197500    
 C    3.917100      0.1597000      -1.213200    
 H   -1.821800      0.1458000     -0.1850000    
 H   -3.672000      0.1736000       1.454900    
 H   -2.987700      -2.667700      0.3053000    
 H   -4.501700       1.236300      -1.309900    
 H  -0.7068000      -3.489200      0.1473000    
 H   -1.173400      -2.767500      -1.406100    
 H   -6.468300       1.245700      0.2785000    
 H   -5.467600       2.113400       1.464600    
 H   -3.538600      -1.477400      -1.766300    
 H   -5.216800      -1.020200     -0.6101000    
 H   -2.641400      -1.586800       2.205800    
 H   -3.161200       2.407200      0.9159000    
 H   -6.074900       2.991900      -1.164500    
 H    2.277100      -1.189200       2.029900    
 H    2.547400      -1.118100      -2.268000    
 H    4.082800      0.4456000       2.184900    
 H    4.354700      0.5170000      -2.141900    


%chk=000108591-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108591

0 1
O -4.717432 -1.298025 -0.964915
O -3.855561 -0.845335 1.439142
O -2.572886 -3.159918 0.666235
O -2.223803 1.528732 -0.943381
O -3.044127 3.410331 0.897187
O 3.756200 3.553853 0.734431
O 5.394394 2.041619 1.217658
N -0.420093 -1.703913 -1.016216
N 0.765470 -2.004796 -0.593030
N 4.202496 2.345078 0.823117
C -3.230533 -1.277516 -0.888943
C -2.969482 -0.378355 0.342888
C -2.661130 -2.719299 -0.722690
C -3.216889 1.112541 0.062240
C -1.254995 -2.877502 -1.351129
C -3.042726 1.988245 1.316228
C 1.569718 -0.843003 -0.262468
C 1.111584 0.503329 -0.347869
C 2.884354 -1.134708 0.179623
C 3.288993 1.236155 0.447097
C 1.978380 1.548450 0.010974
C 3.759208 -0.092137 0.537809
H -2.812231 -0.794411 -1.790055
H -1.937655 -0.520183 0.697967
H -3.338276 -3.414668 -1.273879
H -4.241176 1.247038 -0.352373
H -0.798735 -3.829158 -1.019747
H -1.364103 -2.881188 -2.455619
H -3.819185 1.774560 2.072461
H -2.045720 1.827873 1.759718
H -5.015899 -1.934376 -1.658955
H -4.743657 -0.996598 1.004113
H -3.114156 -2.546262 1.247739
H -2.195185 2.524097 -0.888516
H -3.976851 3.733570 0.820873
H 0.089802 0.705474 -0.691875
H 3.193829 -2.182810 0.235501
H 1.668655 2.595757 -0.037306
H 4.779003 -0.281940 0.881164


