%chk=000052313.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052313

0 1
 O    1.622500     -0.5352000       1.725200    
 C    2.061500     -5.4000001E-02 -0.5800000    
 C    1.909600      -1.447700      -1.065000    
 C    3.160600      -1.024200     -0.3526000    
 C    1.233700      0.3395000      0.6395000    
 C    2.236800       1.046500      -1.543900    
 C  -0.2216000      0.1810000      0.3551000    
 C    1.670900       1.753200       1.108500    
 C  -0.8562000      -1.032400      0.6209000    
 C  -0.9482000       1.246000     -0.1774000    
 C   -2.217200      -1.180800      0.3542000    
 C   -2.309300       1.097700     -0.4438000    
 C   -2.943900     -0.1157000     -0.1779000    
 C   -4.399100     -0.2742000     -0.4628000    
 H    1.983200      -1.639400      -2.130200    
 H    1.304200      -2.181400     -0.5512000    
 H    3.364200      -1.479000      0.6073000    
 H    4.062000     -0.9270000     -0.9508000    
 H    1.295700       1.526800      -1.823900    
 H    2.930600       1.810300      -1.177000    
 H    2.674400      0.6800000      -2.481500    
 H    1.154100       2.015600       2.040400    
 H    2.743000       1.766300       1.342100    
 H    1.473000       2.557700      0.3952000    
 H    1.087000     -0.3025000       2.503600    
 H  -0.3240000      -1.879900       1.043200    
 H  -0.4932000       2.204200     -0.4039000    
 H   -2.701400      -2.129900      0.5687000    
 H   -2.865200       1.934800     -0.8581000    
 H   -4.706100      0.3488000      -1.309800    
 H   -4.640200      -1.310300     -0.7239000    
 H   -4.987000      1.2300000E-02  0.4147000    


%chk=000052313-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052313

0 1
O 1.567743 -0.699524 1.745956
C 2.104392 -0.162868 -0.554964
C 2.409958 -1.656262 -0.738802
C 3.525786 -0.686876 -0.301788
C 1.265578 0.292829 0.671692
C 1.878739 0.660843 -1.823459
C -0.244505 0.237913 0.365730
C 1.739557 1.676968 1.167722
C -0.895663 -1.024115 0.319936
C -1.023213 1.392981 0.105446
C -2.271397 -1.122207 0.027814
C -2.402358 1.291463 -0.186111
C -3.054131 0.034139 -0.226882
C -4.543344 -0.071549 -0.507506
H 2.421623 -2.046865 -1.761762
H 2.055171 -2.352619 0.023927
H 3.859616 -0.774631 0.735628
H 4.304943 -0.418927 -1.023080
H 0.816129 0.650355 -2.127534
H 2.189049 1.715023 -1.692808
H 2.472794 0.246190 -2.657727
H 1.160203 2.002731 2.052031
H 2.802736 1.602651 1.451051
H 1.645842 2.459544 0.395049
H 0.984443 -0.492001 2.519428
H -0.310306 -1.927431 0.517562
H -0.558898 2.384731 0.123831
H -2.748108 -2.110121 -0.003840
H -2.979730 2.202997 -0.385455
H -4.894299 0.755371 -1.149876
H -4.794365 -1.023686 -1.007677
H -5.129586 -0.029946 0.431369


