%chk=000117657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117657

0 1
 O  -0.9713000       2.408200       2.231000    
 O    4.790000     -0.7040000     -4.4500001E-02
 N   -1.519700      -1.147400      9.6000005E-03
 C   -1.259000       1.285400      0.1079000    
 C  -0.7725000     -6.2700003E-02  0.6459000    
 C  -0.6012000       2.457900      0.8554000    
 C  -0.9964000       1.382500      -1.401400    
 C   -1.031900       3.806500      0.2762000    
 C   -1.428300       2.732900      -1.967300    
 C  -0.7714000       3.890100      -1.222500    
 C   -1.138300      -2.443000      0.5889000    
 C   -2.965900     -0.9160000      0.1315000    
 C   0.7219000     -0.2353000      0.4604000    
 C   -1.874800      -3.593300     -9.9200003E-02
 C   -3.762100      -2.016400     -0.5719000    
 C   -3.385500      -3.396300     -4.4799998E-02
 C    1.578700      0.2176000       1.446300    
 C    1.191500     -0.8412000     -0.6904000    
 C    2.954000      5.9099998E-02   1.275500    
 C    2.566700      -1.000000     -0.8612000    
 C    3.448100     -0.5498000      0.1218000    
 C    5.227200      -1.334800      -1.247300    
 H   -2.324700       1.433300      0.3087000    
 H  -0.9822000     -0.1012000       1.725500    
 H   0.4894000       2.422800      0.7912000    
 H   -1.519600      0.5961000      -1.956000    
 H   6.9499999E-02   1.287200      -1.629700    
 H  -0.5050000       4.618100      0.7928000    
 H   -2.098100       3.972000      0.4796000    
 H   -2.519200       2.824900      -1.898200    
 H   -1.170700       2.787200      -3.031300    
 H   0.3099000       3.878000      -1.407100    
 H   -1.151300       4.841700      -1.610800    
 H   -1.372100      -2.464000       1.662600    
 H  -7.2499998E-02  -2.669800      0.5028000    
 H   -3.301800     -1.3200000E-02 -0.3828000    
 H   -3.273200     -0.8472000       1.183000    
 H   -1.611300      -4.542400      0.3815000    
 H   -1.551200      -3.663200      -1.145500    
 H   -3.573100      -1.975300      -1.652500    
 H   -4.835700      -1.848200     -0.4288000    
 H   -3.887800      -4.173400     -0.6313000    
 H   -3.731300      -3.499200      0.9911000    
 H  -0.5359000       3.153300       2.679200    
 H    1.210000      0.6757000       2.358800    
 H   0.5378000      -1.187200      -1.485700    
 H    3.635400      0.4081000       2.046600    
 H    2.882800      -1.477200      -1.782600    
 H    4.957500     -0.7465000      -2.131000    
 H    4.870700      -2.368400      -1.312200    
 H    6.320800      -1.375400      -1.212000    


%chk=000117657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117657

0 1
O -0.700333 2.365210 2.230199
O 4.915301 -0.778531 0.027545
N -1.579066 -1.174547 0.025581
C -1.237448 1.353808 0.083102
C -0.793132 -0.045073 0.638830
C -0.487337 2.515177 0.770131
C -1.104342 1.491313 -1.456071
C -1.004283 3.885657 0.283503
C -1.625512 2.857899 -1.957613
C -0.889423 4.021929 -1.253723
C -1.258254 -2.457861 0.718057
C -3.052753 -0.962174 0.026666
C 0.710203 -0.278878 0.442232
C -1.926031 -3.664073 0.030344
C -3.787292 -2.121392 -0.681039
C -3.457999 -3.480729 -0.027603
C 1.626180 0.063319 1.472251
C 1.231780 -0.809230 -0.761862
C 3.013118 -0.109824 1.305378
C 2.620712 -0.995940 -0.947763
C 3.516026 -0.639848 0.091480
C 5.479475 -1.338612 -1.200820
H -2.301894 1.495879 0.362464
H -0.987036 -0.002182 1.738549
H 0.599481 2.437878 0.547941
H -1.643543 0.659764 -1.946210
H -0.039347 1.382473 -1.742022
H -0.434525 4.697034 0.783424
H -2.064027 3.990238 0.593095
H -2.714111 2.938310 -1.755864
H -1.495806 2.932635 -3.054796
H 0.180421 4.007342 -1.548005
H -1.298682 4.997981 -1.577423
H -1.591852 -2.415277 1.789414
H -0.163130 -2.587124 0.724879
H -3.289792 -0.024453 -0.502637
H -3.443686 -0.860692 1.074405
H -1.660955 -4.588448 0.579485
H -1.523411 -3.759082 -0.997303
H -3.474572 -2.138969 -1.743873
H -4.877292 -1.926717 -0.656146
H -3.934453 -4.309007 -0.586009
H -3.870240 -3.503668 1.002741
H -0.311976 3.154971 2.685612
H 1.236792 0.475112 2.410989
H 0.527454 -1.106094 -1.547043
H 3.721739 0.148899 2.098481
H 2.985678 -1.417298 -1.889812
H 5.247669 -0.704232 -2.079069
H 5.111305 -2.367632 -1.382364
H 6.567099 -1.358641 -1.035908


