%chk=000097954.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097954

0 1
 O   0.5549000     -0.1479000       1.042800    
 O    1.365100       2.088700     -0.1020000    
 C    1.139500     -0.3073000     -0.2541000    
 C   0.1904000     -0.9686000      -1.261900    
 C   -1.151300     -0.2397000      -1.335200    
 C    2.400700      -1.154200     -8.0200002E-02
 C   -1.622400      0.1624000      3.1399999E-02
 C  -0.7800000      0.1557000       1.075100    
 C   -3.061600      0.5536000      0.1666000    
 C    1.579700       1.054900     -0.7262000    
 C    3.326500     -0.5567000      0.9607000    
 C   -3.941600     -0.6408000      0.4829000    
 H  -4.4999998E-03  -2.003400     -0.9479000    
 H   0.6381000      -1.014600      -2.262000    
 H   -1.882800     -0.8982000      -1.817700    
 H   -1.060000      0.6567000      -1.960100    
 H    2.938400      -1.258300      -1.030500    
 H    2.127100      -2.163200      0.2534000    
 H   -1.079600      0.3987000       2.085900    
 H   -3.174100       1.297500      0.9655000    
 H   -3.406400       1.043700     -0.7515000    
 H    2.111000       1.084100      -1.693800    
 H    3.694200      0.4327000      0.6728000    
 H    2.851100     -0.4784000       1.943300    
 H    4.204700      -1.200800       1.080600    
 H   -4.985100     -0.3245000      0.5819000    
 H   -3.645400      -1.118000       1.423300    
 H   -3.893900      -1.394200     -0.3105000    


%chk=000097954-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097954

0 1
O 0.611124 -0.147535 1.131046
O 1.312347 2.164625 -0.349965
C 1.181840 -0.322128 -0.216075
C 0.172077 -1.052184 -1.148854
C -1.173116 -0.292820 -1.226314
C 2.484394 -1.143802 -0.032732
C -1.640362 0.143697 0.154037
C -0.759659 0.186155 1.189288
C -3.089776 0.556144 0.345421
C 1.528913 1.039967 -0.843935
C 3.510470 -0.490913 0.916798
C -4.103324 -0.609818 0.193801
H 0.010383 -2.063500 -0.730161
H 0.615796 -1.175143 -2.155036
H -1.931754 -0.946245 -1.698915
H -1.079608 0.593894 -1.889828
H 2.934351 -1.313317 -1.031445
H 2.187869 -2.134945 0.360010
H -1.025453 0.480325 2.208558
H -3.214683 1.013888 1.345682
H -3.345546 1.347613 -0.390760
H 2.022006 0.927469 -1.849634
H 3.888017 0.469629 0.519956
H 3.050797 -0.291958 1.898911
H 4.377711 -1.159103 1.064190
H -5.139036 -0.249079 0.334313
H -3.907526 -1.398248 0.942867
H -4.045551 -1.072769 -0.808624


