%chk=000095700.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095700

0 1
 O    3.229900      0.4653000     -0.2303000    
 O   -2.722200     -0.9869000     -0.9522000    
 N   0.5204000     -0.3226000      0.1434000    
 N   -1.701900      0.2233000      0.7472000    
 N   -3.611500       1.014400     -0.2576000    
 C   0.9765000       1.037300      0.4628000    
 C    1.627200      -1.275700      0.3050000    
 C    2.169100       1.403200     -0.4162000    
 C    2.805000     -0.8553000     -0.5694000    
 C  -0.6156000     -0.6992000      0.9819000    
 C   -2.676800     -3.7000000E-03 -0.2147000    
 H    1.269400       1.103000       1.518900    
 H   0.1942000       1.781700      0.2795000    
 H    1.308000      -2.282200      1.1600000E-02
 H    1.946600      -1.312400       1.354700    
 H    1.894100       1.439700      -1.477500    
 H    2.547800       2.392000     -0.1382000    
 H    3.651300      -1.529700     -0.4041000    
 H    2.552100     -0.8959000      -1.636000    
 H  -0.9557000      -1.711800      0.7377000    
 H  -0.3731000     -0.6630000       2.050400    
 H   -1.757700       1.066000       1.310700    
 H   -3.553600       1.817100      0.3600000    
 H   -4.386200      0.9892000     -0.9120000    


%chk=000095700-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095700

0 1
O 3.320129 0.337882 -0.391914
O -2.613161 -1.282694 -0.692805
N 0.559349 -0.142549 0.326176
N -1.807469 0.324705 0.810442
N -3.708676 0.768064 -0.512930
C 1.239252 1.113045 0.718791
C 1.521423 -1.266432 0.210666
C 2.351498 1.441241 -0.292088
C 2.622257 -0.896549 -0.797058
C -0.625318 -0.463208 1.150573
C -2.697365 -0.131558 -0.170120
H 1.684557 1.039652 1.744844
H 0.502157 1.939677 0.722251
H 0.980364 -2.161846 -0.147890
H 2.000407 -1.514186 1.191560
H 1.896872 1.632463 -1.287944
H 2.936491 2.320075 0.026694
H 3.402743 -1.673960 -0.840928
H 2.170171 -0.757522 -1.802064
H -0.882193 -1.521055 0.971034
H -0.425028 -0.322730 2.240999
H -1.945034 1.234470 1.249225
H -3.756772 1.726176 -0.173938
H -4.389352 0.450638 -1.197975


