%chk=000163790.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163790

0 1
 O   -3.593900      0.9818000      -2.338500    
 O   -2.073900       2.722600     -0.9035000    
 O   -5.308500     -0.8297000      -1.213700    
 O   -5.390000      0.2827000       1.402100    
 O    3.976000       2.142000       1.469300    
 O   -6.037500      -2.294600       1.772900    
 O    5.187900      -2.721400     -0.9664000    
 O    6.133300      -1.089000      0.1564000    
 N   1.5600000E-02   1.071000     -2.7799999E-02
 N    2.630500       2.108100       1.145400    
 N    4.647800       1.026800      0.9988000    
 N    5.117900      -1.616500     -0.3678000    
 C   -3.706000      0.9510000     -0.9084000    
 C   -2.371900       1.447000     -0.3216000    
 C   -4.121800     -0.4718000     -0.4896000    
 C   -1.188700      0.5199000     -0.6097000    
 C   -4.410200     -0.6656000       1.002800    
 C    1.251400      0.4509000     -9.2900001E-02
 C    2.445500      0.9688000      0.4671000    
 C   -4.923600      -2.057100       1.316000    
 C    1.435100     -0.7923000     -0.7455000    
 C    3.727800      0.2814000      0.3740000    
 C    3.873500     -0.9543000     -0.2830000    
 C    2.683800      -1.461600     -0.8363000    
 H   -4.497500       1.670200     -0.6652000    
 H   -2.470900       1.594700      0.7603000    
 H   -3.368700      -1.200900     -0.8098000    
 H   -1.377300     -0.4690000     -0.1804000    
 H   -1.052200      0.4203000      -1.693000    
 H   -3.505100     -0.4968000       1.595200    
 H  -3.3500001E-02   1.962100      0.4539000    
 H   -4.491300      0.9049000      -2.704200    
 H   -2.810900       3.319700     -0.6892000    
 H   -5.059900     -0.9392000      -2.147200    
 H   -4.214100      -2.877300       1.110300    
 H   0.5896000      -1.291700      -1.217600    
 H   -5.473300      0.2272000       2.369400    
 H    2.693900      -2.414300      -1.365900    


%chk=000163790-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000163790

0 1
O -3.688888 1.076938 -2.193506
O -2.025389 2.621728 -0.500166
O -5.534319 -0.705361 -1.179110
O -4.739029 0.181487 1.761296
O 3.880777 2.690652 0.627877
O -6.387063 -1.926457 1.869388
O 5.268652 -2.809915 -0.392056
O 6.264025 -0.832219 0.199882
N 0.069552 0.989021 -0.297928
N 2.498216 2.432458 0.367084
N 4.703763 1.488446 0.481012
N 5.227827 -1.540785 -0.115078
C -3.728108 0.883907 -0.734361
C -2.360556 1.225101 -0.109424
C -4.216523 -0.564660 -0.555864
C -1.205140 0.362583 -0.651544
C -4.377173 -0.954460 0.933497
C 1.277832 0.350858 -0.281272
C 2.462190 1.113873 0.066512
C -5.430813 -2.064078 1.071365
C 1.489463 -1.019215 -0.569683
C 3.794696 0.529099 0.132020
C 3.936013 -0.870187 -0.159272
C 2.785119 -1.597045 -0.502093
H -4.486992 1.549197 -0.275984
H -2.427745 1.150589 0.992668
H -3.498642 -1.258998 -1.045350
H -1.263858 -0.646480 -0.201591
H -1.309384 0.254495 -1.750877
H -3.410349 -1.366981 1.299304
H 0.034159 2.009853 -0.188729
H -3.354781 1.995437 -2.366899
H -2.487667 3.257355 0.101362
H -5.495899 -0.263758 -2.068612
H -5.294881 -2.976139 0.452410
H 0.650716 -1.653396 -0.867022
H -5.611714 -0.043783 2.196707
H 2.920813 -2.659158 -0.729263


