%chk=000100140.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100140

0 1
 O    4.362200     -9.9200003E-02  -1.258900    
 O    2.806900       2.120300       1.630000    
 O   0.3604000       1.971500       1.337200    
 O   -2.139000       1.719800       1.062600    
 O   -3.881600      -2.407500     -0.5588000    
 O    6.178300       1.256900     -0.8121000    
 C    4.484200     -0.6990000      3.5200000E-02
 C    3.382700      -1.752600      0.1872000    
 C    4.363000      0.3813000       1.109800    
 C    2.010400      -1.139600      0.2982000    
 C    1.816800      0.1603000      0.7755000    
 C    2.977800      0.9873000       1.187200    
 C    5.861900      -1.364800      0.1010000    
 C   0.8887000      -1.908700     -4.8900001E-02
 C   0.5248000      0.6931000      0.8788000    
 C  -0.4132000      -1.390500      4.9800001E-02
 C  -0.5972000     -7.0500001E-02  0.5177000    
 C   -1.899100      0.4481000      0.6158000    
 C   -1.535900      -2.156300     -0.3061000    
 C   -3.003400     -0.3256000      0.2575000    
 C   -2.822100      -1.626000     -0.2025000    
 C    5.280500      0.8672000      -1.546400    
 C   -4.354600      0.2190000      0.3625000    
 C    5.032300       1.401100      -2.924600    
 C   -5.018600      0.8658000     -0.6179000    
 C   -6.420200       1.404700     -0.4661000    
 C   -6.425100       2.921200     -0.6567000    
 C   -7.355600      0.7333000      -1.471200    
 C   -4.465300      -3.210700      0.4641000    
 H    3.550000      -2.359800       1.085800    
 H    3.403400      -2.420700     -0.6837000    
 H    5.064300       1.211900       1.030000    
 H    4.547800     -6.9100000E-02   2.095100    
 H    6.692200     -0.6704000      0.2522000    
 H    5.910700      -2.066200      0.9425000    
 H    6.071400      -1.927600     -0.8161000    
 H    1.036000      -2.927700     -0.4051000    
 H   -1.408700      -3.175000     -0.6687000    
 H    1.154500       2.498500       1.157800    
 H   -4.832100      7.1800001E-02   1.328300    
 H    4.033400       1.841600      -2.976600    
 H    5.138100      0.5976000      -3.657900    
 H    5.767900       2.178400      -3.150200    
 H   -1.326800       2.247300       1.052600    
 H   -4.532500       1.011000      -1.580800    
 H   -6.795200       1.188600      0.5425000    
 H   -7.434800       3.324500     -0.5235000    
 H   -5.771600       3.410200      7.4299999E-02
 H   -6.080000       3.202900      -1.658100    
 H   -7.371300     -0.3528000      -1.326700    
 H   -7.046700      0.9309000      -2.503900    
 H   -8.380500       1.100500      -1.350800    
 H   -4.813400      -2.594400       1.298500    
 H   -3.745100      -3.953000      0.8228000    
 H   -5.324000      -3.736500      3.7700001E-02


%chk=000100140-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100140

0 1
O 4.483231 -0.051168 -1.093113
O 2.965230 1.840731 2.196306
O 0.591308 1.805674 1.791546
O -1.910879 1.819413 1.304456
O -3.783283 -1.914907 -1.233753
O 6.286471 1.412730 -0.751293
C 4.686958 -0.816407 0.202983
C 3.533556 -1.845447 0.166480
C 4.528360 0.144059 1.408195
C 2.153070 -1.214454 0.240500
C 2.005150 0.029354 0.964658
C 3.133573 0.711439 1.541806
C 6.060806 -1.506891 0.188025
C 1.034603 -1.801228 -0.331591
C 0.710285 0.624909 1.096995
C -0.279824 -1.215175 -0.210708
C -0.449165 0.021718 0.519105
C -1.754547 0.623024 0.628655
C -1.434006 -1.818110 -0.774266
C -2.906991 0.032488 0.033414
C -2.698586 -1.222752 -0.637853
C 5.323707 1.012196 -1.444840
C -4.182696 0.761222 0.135821
C 4.884795 1.589002 -2.773856
C -5.322452 0.578552 -0.596940
C -6.568665 1.428372 -0.444686
C -6.872484 2.186479 -1.766143
C -7.782257 0.550803 -0.032285
C -4.622528 -2.664168 -0.272642
H 3.677379 -2.528932 1.028931
H 3.625819 -2.457282 -0.748080
H 5.256766 0.969461 1.353240
H 4.758441 -0.423076 2.333676
H 6.875457 -0.767343 0.229545
H 6.151593 -2.184065 1.056994
H 6.174471 -2.109393 -0.730388
H 1.133410 -2.736718 -0.894115
H -1.360572 -2.763057 -1.321040
H 1.650388 2.061418 2.124590
H -4.161233 1.584937 0.860689
H 3.845265 1.953458 -2.703407
H 4.904725 0.808788 -3.554187
H 5.551329 2.416737 -3.055418
H -1.002941 2.114626 1.663373
H -5.359243 -0.202189 -1.369476
H -6.392260 2.177669 0.353610
H -7.782596 2.806630 -1.661028
H -6.031998 2.845310 -2.047790
H -7.040334 1.474115 -2.596508
H -7.597721 0.040044 0.930177
H -7.983415 -0.222632 -0.798467
H -8.694239 1.168221 0.072540
H -5.053776 -1.992229 0.492429
H -4.023369 -3.456667 0.215175
H -5.427083 -3.116895 -0.872139


