%chk=000001878.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001878

0 1
 O    2.178500      -1.205700      0.3076000    
 O   -2.574800      -1.773300      2.3600001E-02
 O  -0.6851000       2.677100      0.1484000    
 O   -3.208600       2.257900     -0.1319000    
 O   0.1677000       4.796200      0.1983000    
 C    2.365500      -2.595800      4.9000001E-03
 C    1.273000      -3.443100      0.6579000    
 C  -0.2288000      -1.500400      0.1895000    
 C  -0.1029000      -3.003200      0.1905000    
 C   0.9151000     -0.6744000      0.2429000    
 C   -1.504100     -0.9152000      0.1079000    
 C   -1.644600      0.4732000      7.8599997E-02
 C   -4.148300      6.2600002E-02 -0.2579000    
 C   0.8004000      0.7366000      0.2544000    
 C   -3.788800      -1.203500      0.5221000    
 C  -0.4952000       1.275200      0.1652000    
 C   -3.010400       1.048600     -8.6599998E-02
 C    3.722700      -2.978200      0.6132000    
 C    2.446300      -2.778300      -1.517800    
 C    1.935000       1.692200      0.3381000    
 C   -4.396200     -0.1494000      -1.749900    
 C   -4.867000      -2.278800      0.4402000    
 C    3.360500       1.227700      0.4482000    
 C    1.695800       3.011900      0.3192000    
 C   0.3517000       3.585100      0.2182000    
 C    3.997000       1.051100     -0.9243000    
 C    5.445500      0.6041000     -0.8006000    
 H    1.319800      -3.314600       1.748400    
 H    1.415600      -4.510700      0.4534000    
 H  -0.8509000      -3.450300      0.8561000    
 H  -0.2964000      -3.374700     -0.8227000    
 H   -5.041600      0.5090000      0.1969000    
 H   -3.646600     -0.9607000       1.585600    
 H    3.738200      -2.777800       1.690900    
 H    3.952200      -4.036900      0.4533000    
 H    4.531400      -2.382900      0.1779000    
 H    1.544400      -2.421200      -2.025000    
 H    3.274900      -2.194000      -1.934300    
 H    2.598600      -3.829000      -1.785400    
 H   -3.545400     -0.6326000      -2.241700    
 H   -5.284400     -0.7656000      -1.919500    
 H   -4.560000      0.8094000      -2.254700    
 H   -4.960800      -2.679800     -0.5743000    
 H   -4.598700      -3.127500       1.079400    
 H   -5.838700      -1.895200      0.7650000    
 H    3.937900       2.003400      0.9750000    
 H    3.488800      0.3621000       1.102300    
 H    2.510100       3.728700      0.3763000    
 H    3.446000      0.3123000      -1.516400    
 H    3.964800       1.993400      -1.485100    
 H    5.526000     -0.3378000     -0.2517000    
 H    6.043300       1.356800     -0.2763000    
 H    5.882100      0.4574000      -1.793400    


%chk=000001878-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001878

0 1
O 2.202918 -1.215305 0.325546
O -2.565902 -1.772535 0.193293
O -0.694371 2.701173 0.365159
O -3.350949 2.332786 0.069103
O 0.091820 4.870244 0.503369
C 2.382264 -2.698739 0.053262
C 1.266300 -3.460240 0.797151
C -0.224646 -1.492563 0.267312
C -0.128798 -3.006906 0.330068
C 0.921699 -0.667379 0.297711
C -1.500041 -0.875006 0.224641
C -1.681484 0.541094 0.217364
C -4.138005 0.071640 -0.333550
C 0.831204 0.774856 0.343890
C -3.923674 -1.205813 0.496232
C -0.490513 1.333264 0.316976
C -3.047226 1.108357 0.022432
C 3.771598 -3.002943 0.627774
C 2.340196 -2.896548 -1.475329
C 1.965326 1.703154 0.423198
C -4.155976 -0.161195 -1.866407
C -4.910939 -2.343697 0.252496
C 3.428457 1.285105 0.394764
C 1.718363 3.066758 0.484645
C 0.403761 3.666634 0.458318
C 3.941457 1.041907 -1.054352
C 5.438767 0.670097 -1.078472
H 1.382357 -3.272058 1.881462
H 1.394266 -4.546020 0.633093
H -0.906088 -3.388535 1.015280
H -0.370860 -3.445804 -0.657787
H -5.099500 0.526493 -0.029894
H -3.907400 -0.933203 1.573578
H 3.795851 -2.817358 1.715435
H 4.032280 -4.061035 0.446361
H 4.537832 -2.369817 0.147597
H 1.384762 -2.553665 -1.907294
H 3.156786 -2.329696 -1.954782
H 2.467072 -3.966050 -1.723966
H -3.244492 -0.683894 -2.206715
H -5.031656 -0.762294 -2.168988
H -4.215703 0.809435 -2.387845
H -4.872219 -2.686153 -0.794933
H -4.678855 -3.201826 0.906357
H -5.938584 -2.005424 0.475677
H 4.030836 2.099496 0.841049
H 3.596570 0.373111 0.987151
H 2.550825 3.772790 0.553962
H 3.344674 0.235153 -1.518661
H 3.770887 1.956285 -1.655627
H 5.628683 -0.256026 -0.502943
H 6.056068 1.472309 -0.631994
H 5.794501 0.506989 -2.112268


