%chk=000028818.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028818

0 1
 O  -0.6144000      -1.484600      2.4999999E-03
 O   -2.404900      -2.907200      4.6999999E-03
 C    2.172400      -1.181100      6.0000003E-04
 C    1.256500     -2.9000000E-03  2.3000001E-03
 C  -0.1306000     -0.1610000      2.0999999E-03
 C    3.667000     -0.7344000     -6.9999998E-04
 C    1.945700      -2.071100      -1.260200    
 C    2.026500      -2.145600       1.223600    
 C    1.793200       1.280300      2.6000000E-03
 C   -1.004900      0.9268000      2.4999999E-03
 C   0.9441000       2.385700      3.0000000E-03
 C  -0.4445000       2.211200      2.9000000E-03
 C   -2.451000      0.6674000      2.4999999E-03
 C    1.518500       3.763000      4.0000002E-03
 C   -2.882600     -0.6017000      2.4999999E-03
 C   -1.973000      -1.759800      2.9000000E-03
 C   -3.417900       1.815100      2.0999999E-03
 H    4.328000      -1.610900     -1.5100000E-02
 H    3.924800     -0.1520000     -0.8934000    
 H    3.932300     -0.1682000      0.9002000    
 H    1.983700      -1.465600      -2.173700    
 H    2.728900      -2.834700      -1.342400    
 H   0.9929000      -2.606600      -1.257000    
 H    2.785200      -2.936700       1.199100    
 H    2.149500      -1.591700       2.161700    
 H    1.052200      -2.640200       1.263800    
 H    2.855700       1.491900      6.3000000E-03
 H   -1.082000       3.092200      5.5999998E-03
 H    1.807400       4.048500       1.020400    
 H    2.399900       3.818800     -0.6440000    
 H   0.7990000       4.498700     -0.3711000    
 H   -3.944200     -0.8304000      2.4999999E-03
 H   -3.282900       2.437300     -0.8891000    
 H   -3.284000       2.437100      0.8936000    
 H   -4.458800       1.472600      1.4000000E-03


%chk=000028818-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028818

0 1
O -0.643671 -1.499403 -0.009686
O -2.395410 -2.994515 -0.015293
C 2.250280 -1.247648 -0.008455
C 1.284004 -0.036830 -0.003802
C -0.137208 -0.189836 -0.004829
C 3.736335 -0.797888 -0.006217
C 2.018394 -2.108147 -1.289160
C 2.017895 -2.119097 1.264701
C 1.759020 1.293168 0.001379
C -1.030059 0.923744 -0.001296
C 0.909624 2.437082 0.005077
C -0.479190 2.236760 0.003563
C -2.472842 0.673523 -0.002929
C 1.509944 3.831891 0.010516
C -2.939429 -0.626525 -0.007593
C -2.066446 -1.790926 -0.011132
C -3.443558 1.834668 0.000415
H 4.379624 -1.696186 -0.009861
H 3.993095 -0.202644 -0.902563
H 3.992646 -0.210102 0.895172
H 2.187710 -1.507240 -2.202277
H 2.730465 -2.954687 -1.299775
H 0.996985 -2.517712 -1.320112
H 2.730540 -2.965206 1.268631
H 2.186127 -1.525913 2.183061
H 0.996720 -2.529542 1.291446
H 2.839590 1.463767 0.002559
H -1.150931 3.101346 0.006202
H 2.142304 3.994422 0.903558
H 2.151812 3.997190 -0.875171
H 0.727485 4.609846 0.007572
H -4.010488 -0.846767 -0.008874
H -3.298254 2.478494 -0.887195
H -3.299253 2.472596 0.892433
H -4.486162 1.478516 -0.001366


