%chk=000098044.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098044

0 1
 O    2.237500      0.2094000     -0.2273000    
 O    4.157500      -1.068400     -0.2384000    
 C    1.467600     -0.9530000      0.1079000    
 C  -2.3000000E-02 -0.5484000      0.2251000    
 C  -0.3094000      0.5563000       1.252300    
 C    1.629100      -1.941100      -1.058000    
 C   -1.778500      0.8724000       1.315400    
 C    2.009200      -1.461100       1.426700    
 C   -2.442800       1.777700      0.5711000    
 C   -3.919600       2.069300      0.7140000    
 C    4.257400       1.317900     -0.7105000    
 C    3.579200      2.4000001E-03 -0.3705000    
 C   -4.767700       1.230300     -0.2445000    
 C   -1.716500       2.604200     -0.4562000    
 C    2.079400      -2.731600       1.843300    
 C    5.470700       1.085600      -1.607200    
 C    4.656700       2.037600      0.5722000    
 C   -4.637700     -0.2354000      6.1200000E-02
 C   -4.171900      -1.203900     -0.7500000    
 C   -4.137300      -2.636000     -0.2883000    
 C   -3.640200     -0.9844000      -2.138300    
 H  -0.3634000     -0.1953000     -0.7581000    
 H  -0.6269000      -1.434200      0.4665000    
 H   0.2837000       1.453000       1.044700    
 H  -3.7000000E-03  0.2301000       2.253600    
 H   0.8515000      -2.714000      -1.021600    
 H    2.581200      -2.478800      -1.072500    
 H    1.538100      -1.426300      -2.022100    
 H   -2.342000      0.2979000       2.048700    
 H    2.332800     -0.7020000       2.139000    
 H   -4.106100       3.135900      0.5377000    
 H   -4.234600       1.880200       1.749000    
 H    3.545700       1.936300      -1.271700    
 H   -4.521200       1.477400      -1.279900    
 H   -5.821000       1.508000     -0.1131000    
 H  -0.6940000       2.281800     -0.6625000    
 H   -1.679900       3.650400     -0.1346000    
 H   -2.249600       2.562000      -1.412300    
 H    1.750000      -3.556700       1.222700    
 H    2.468400      -2.964000       2.828800    
 H    5.183400      0.5453000      -2.515900    
 H    5.921800       2.037500      -1.906100    
 H    6.237700      0.4911000      -1.098500    
 H    5.362900       1.440300       1.159800    
 H    3.780600       2.222500       1.203200    
 H    5.124700       3.002200      0.3509000    
 H   -4.994200     -0.5230000       1.049700    
 H   -4.734600      -3.264100     -0.9573000    
 H   -4.535100      -2.758000      0.7247000    
 H   -3.107700      -3.008900     -0.2871000    
 H   -4.282100      -1.487100      -2.869000    
 H   -3.567300      6.5499999E-02  -2.426400    
 H   -2.631800      -1.404400      -2.221900    


%chk=000098044-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000098044

0 1
O 2.095000 -0.103940 -0.201183
O 4.258963 -1.006271 -0.296429
C 1.487361 -1.323550 0.496628
C 0.002236 -0.893485 0.665295
C -0.237219 0.358093 1.553860
C 1.592533 -2.542534 -0.437436
C -1.704082 0.741234 1.574857
C 2.175914 -1.495411 1.842442
C -2.314501 1.743532 0.877626
C -3.824244 1.940528 0.969430
C 3.825626 1.296699 -1.097387
C 3.458072 -0.067682 -0.508534
C -4.608212 1.415264 -0.284618
C -1.587228 2.711950 -0.040220
C 2.450382 -2.672594 2.452032
C 4.920556 1.144888 -2.175346
C 4.294194 2.222493 0.061783
C -4.663224 -0.096830 -0.348258
C -4.048388 -0.932469 -1.234129
C -4.207203 -2.441347 -1.121652
C -3.162830 -0.477287 -2.380721
H -0.410795 -0.697983 -0.343075
H -0.549058 -1.757405 1.084820
H 0.391833 1.183287 1.177608
H 0.097701 0.138246 2.586746
H 1.007293 -3.384934 -0.026722
H 2.639982 -2.858510 -0.557627
H 1.172983 -2.291102 -1.427390
H -2.346544 0.097157 2.196345
H 2.412290 -0.552795 2.357386
H -4.052753 3.020361 1.088418
H -4.218514 1.425019 1.866555
H 2.908962 1.728301 -1.539187
H -4.167397 1.844077 -1.203070
H -5.643017 1.810800 -0.221862
H -0.508614 2.501066 -0.121486
H -1.707845 3.753760 0.318348
H -2.009678 2.681480 -1.064122
H 2.247802 -3.640865 1.980641
H 2.910158 -2.698974 3.445821
H 4.564600 0.545201 -3.032230
H 5.225374 2.138129 -2.551346
H 5.805756 0.638207 -1.753380
H 5.196496 1.807544 0.546238
H 3.506518 2.340457 0.827503
H 4.543509 3.222905 -0.335184
H -5.266305 -0.563098 0.448263
H -4.642583 -2.868568 -2.047283
H -4.857495 -2.723755 -0.275291
H -3.223665 -2.933515 -0.978978
H -3.549795 -0.852424 -3.349185
H -3.073289 0.618820 -2.450173
H -2.140613 -0.891770 -2.266748


