%chk=000088373.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088373

0 1
 O   -3.699300      0.2857000      0.4530000    
 O   -2.925600     -0.9731000      -1.318900    
 N    1.047300      2.8999999E-02 -0.1546000    
 C    2.111200     -0.8954000     -0.5513000    
 C    1.344600       1.380100     -0.6336000    
 C  -0.2420000     -0.4237000     -0.6618000    
 C    2.125400      -2.114700      0.3691000    
 C    2.400600       2.037300      0.2535000    
 C   -1.376500      0.1697000      0.1683000    
 C    3.216500      -3.104200     -4.1299999E-02
 C    2.741800       3.442900     -0.2423000    
 C    3.260500      -4.304100      0.8915000    
 C    3.766400       4.117600      0.6560000    
 C   -2.733000     -0.2572000     -0.3458000    
 C   -5.047500     -3.1099999E-02  9.1600001E-02
 C   -5.990400      0.6411000       1.066600    
 H    1.995100      -1.202500      -1.599600    
 H    3.103100     -0.4368000     -0.4846000    
 H    1.673600       1.364200      -1.681500    
 H   0.4576000       2.022500     -0.6039000    
 H  -0.3427000      -1.514000     -0.6062000    
 H  -0.3629000     -0.1736000      -1.724900    
 H    1.163300      -2.638100      0.3603000    
 H    2.300000      -1.789700       1.403100    
 H    3.326900       1.455500      0.2895000    
 H    2.025200       2.097300       1.283400    
 H   -1.360900       1.263900      0.1515000    
 H   -1.288100     -0.1675000       1.208200    
 H    3.038300      -3.450900      -1.066000    
 H    4.193900      -2.607900     -3.1500001E-02
 H    3.136600       3.391600      -1.263700    
 H    1.835000       4.058000     -0.2749000    
 H    3.469300      -3.993800       1.920400    
 H    4.047500      -4.997800      0.5797000    
 H    2.308300      -4.844100      0.8817000    
 H    3.388900       4.213000       1.679100    
 H    3.994700       5.121000      0.2833000    
 H    4.699500       3.546000      0.6855000    
 H   -5.189700      -1.116900      0.1279000    
 H   -5.247300      0.3283000     -0.9240000    
 H   -7.032300      0.4195000      0.8191000    
 H   -5.847300       1.726700       1.054900    
 H   -5.790700      0.3052000       2.089500    


%chk=000088373-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088373

0 1
O -3.747925 0.372315 0.408455
O -2.956372 -1.538750 -0.663457
N 1.085737 0.026816 -0.265337
C 2.149824 -0.947172 -0.631066
C 1.407549 1.420513 -0.674480
C -0.264058 -0.407876 -0.701402
C 2.184389 -2.180468 0.295603
C 2.400109 2.120327 0.278155
C -1.362710 0.127434 0.241109
C 3.259244 -3.210296 -0.122980
C 2.756977 3.552131 -0.182551
C 3.289823 -4.447965 0.799493
C 3.739131 4.260237 0.775620
C -2.728986 -0.455001 -0.074530
C -5.145775 -0.127954 0.218673
C -6.072168 0.903584 0.854240
H 2.048086 -1.283839 -1.695195
H 3.125196 -0.429863 -0.560750
H 1.807348 1.456213 -1.720841
H 0.466835 2.004049 -0.683978
H -0.311232 -1.509877 -0.687438
H -0.486631 -0.099347 -1.752485
H 1.193181 -2.677167 0.302497
H 2.369123 -1.836063 1.331843
H 3.330567 1.523056 0.360914
H 1.955419 2.145822 1.292046
H -1.429059 1.229243 0.228104
H -1.094868 -0.155199 1.278267
H 3.070915 -3.532710 -1.167800
H 4.256241 -2.723270 -0.122929
H 3.196324 3.512190 -1.200606
H 1.827976 4.152770 -0.269121
H 3.503665 -4.157663 1.845390
H 4.064798 -5.170339 0.483319
H 2.315134 -4.971264 0.790103
H 3.311916 4.338840 1.793062
H 3.978434 5.282430 0.428965
H 4.689219 3.698684 0.854776
H -5.226877 -1.122589 0.693682
H -5.325431 -0.250913 -0.864809
H -7.123920 0.582304 0.742464
H -5.956416 1.888771 0.370966
H -5.855833 1.016857 1.930306


