%chk=000072338.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072338

0 1
 O   -4.096300      -1.521400       1.288000    
 O   -3.277400       2.408300      -1.058500    
 O   -4.104300       2.643500       1.091000    
 N  -3.3000000E-03  -1.872100     -0.6682000    
 N    2.031400       1.249700     -0.2731000    
 C   -2.486500      -1.609800     -0.6103000    
 C   -2.308700     -7.5700000E-02 -0.5823000    
 C   0.1915000     -0.4158000     -0.9016000    
 C  -0.8980000      0.3629000     -0.1532000    
 C   -1.275800      -2.319500      -1.240900    
 C   -2.936500      -2.191300      0.7559000    
 C    1.570600     -2.1800000E-02 -0.4653000    
 C    1.128000      -2.673900      -1.182200    
 C    2.616200     -0.8962000     -0.2558000    
 C    2.432300      -2.364800     -0.4108000    
 C   -3.373300      0.5427000      0.2727000    
 C    3.754600     -0.1297000      0.1114000    
 C   -1.894500      -2.282100       1.868200    
 C   -4.163600     -0.1700000       1.082900    
 C    3.360800       1.212900      9.2900001E-02
 C   -3.636800       1.980300      0.1783000    
 C    5.085300     -0.4407000      0.4555000    
 C    4.237500       2.259100      0.4022000    
 C    5.971100      0.5966000      0.7683000    
 C    5.551600       1.925000      0.7414000    
 C   -3.475900       3.803900      -1.306500    
 H   -3.336700      -1.798300      -1.286000    
 H   -2.443000      0.2502000      -1.623700    
 H   0.1150000     -0.2013000      -1.977500    
 H  -0.7646000      0.2557000      0.9299000    
 H  -0.7825000       1.436300     -0.3545000    
 H   -1.394900      -3.401000      -1.099200    
 H   -1.280900      -2.144300      -2.325400    
 H   -3.267800      -3.220800      0.5657000    
 H    1.272000      -2.482500      -2.254300    
 H   0.9195000      -3.744800      -1.068900    
 H    3.283800      -2.805700     -0.9407000    
 H    2.385700      -2.822000      0.5853000    
 H    1.486400       2.094300     -0.3791000    
 H   -1.556900      -1.297200       2.198200    
 H   -2.340300      -2.752900       2.752600    
 H   -1.030200      -2.883500       1.577500    
 H   -4.981200      0.2413000       1.660600    
 H    5.427100      -1.471500      0.4798000    
 H    3.913000       3.294100      0.3809000    
 H    6.998200      0.3616000       1.034500    
 H    6.256600       2.715000      0.9873000    
 H   -4.536000       4.058200      -1.213200    
 H   -3.152200       4.016800      -2.328800    
 H   -2.872700       4.400300     -0.6154000    


%chk=000072338-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072338

0 1
O -4.183143 -1.604653 1.244636
O -2.975711 2.571123 -0.875421
O -4.717448 2.547218 0.680401
N 0.012008 -1.924486 -0.674400
N 2.015738 1.258627 -0.336145
C -2.501086 -1.684053 -0.594984
C -2.331880 -0.136613 -0.594824
C 0.177912 -0.456867 -0.903998
C -0.919329 0.315695 -0.132567
C -1.278996 -2.388583 -1.230254
C -2.895764 -2.263775 0.786695
C 1.576170 -0.065305 -0.504489
C 1.162860 -2.725148 -1.179030
C 2.629522 -0.939895 -0.257661
C 2.448347 -2.431832 -0.370850
C -3.469174 0.495435 0.194171
C 3.784526 -0.135307 0.088589
C -1.892882 -2.172924 1.944376
C -4.299693 -0.258052 0.992293
C 3.369782 1.246137 0.029005
C -3.809357 1.923364 0.068962
C 5.128051 -0.432835 0.437942
C 4.251525 2.311760 0.307499
C 6.013137 0.627845 0.716906
C 5.580026 1.985155 0.653171
C -3.279865 4.003201 -1.089323
H -3.367672 -1.909253 -1.251869
H -2.429705 0.199279 -1.648719
H 0.034352 -0.232890 -2.000666
H -0.775939 0.154033 0.948269
H -0.832597 1.400590 -0.328411
H -1.352510 -3.482278 -1.072058
H -1.322620 -2.216771 -2.338847
H -3.210690 -3.314033 0.649288
H 1.353125 -2.516827 -2.262939
H 0.895215 -3.794342 -1.089140
H 3.312209 -2.904403 -0.878796
H 2.368676 -2.896331 0.632260
H 1.435968 2.088869 -0.435097
H -1.786438 -1.133887 2.299119
H -2.239451 -2.788962 2.791683
H -0.900158 -2.516240 1.606040
H -5.168790 0.179986 1.493466
H 5.473037 -1.471763 0.492187
H 3.924532 3.356767 0.260223
H 7.052554 0.411569 0.988362
H 6.291747 2.787928 0.876346
H -4.313429 4.126594 -1.454560
H -2.552609 4.338014 -1.843402
H -3.166683 4.567219 -0.147844


