%chk=000160869.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160869

0 1
 O   0.6771000      -3.265200      0.9171000    
 O    1.615400      0.6948000      -1.611600    
 O    4.849500      -1.049500       1.455000    
 O  -0.3344000      -1.986100      -2.060400    
 O   -7.107300       1.805000       1.205200    
 C    3.235500     -0.1689000     -8.4299996E-02
 C    4.175100      0.9557000     -0.4417000    
 C    1.990600     -0.2433000     -0.6941000    
 C    1.123100      -1.283700     -0.3614000    
 C    3.629400      -1.115500      0.8519000    
 C    1.508800      -2.240000      0.5779000    
 C    2.762100      -2.156000       1.184600    
 C    3.986900       2.159500      0.4379000    
 C  -0.1877000      -1.372800     -0.9948000    
 C    3.629700       3.405000      7.0600003E-02
 C   -1.346800     -0.6781000     -0.3417000    
 C    3.376100       3.728700      -1.377900    
 C    3.458300       4.569400       1.004300    
 C   -2.564000     -0.7107000     -0.9039000    
 C   -3.758300     -4.9300000E-02 -0.3493000    
 C   0.7798000      -4.462900      0.1501000    
 C   -3.780700      0.2976000      0.9917000    
 C   -4.835800      0.2122000      -1.179900    
 C   -4.911500      0.9231000       1.516600    
 C   -5.966600      0.8379000     -0.6551000    
 C   -6.004500       1.193300      0.6931000    
 H    5.220000      0.6292000     -0.3652000    
 H    4.083500       1.169900      -1.509400    
 H    3.063200      -2.900600       1.917400    
 H    4.172300       1.991000       1.498400    
 H   -1.123500     -0.1451000      0.5753000    
 H    3.256300       2.873800      -2.041700    
 H    2.448100       4.305600      -1.467600    
 H    4.192400       4.346500      -1.767200    
 H    3.674200       4.289400       2.040700    
 H    4.137600       5.382600      0.7291000    
 H    2.429900       4.942600      0.9661000    
 H   0.7419000      0.4901000      -1.981100    
 H    5.181000     -0.1384000       1.459600    
 H   -2.719400      -1.240900      -1.840600    
 H    1.750000      -4.939400      0.3220000    
 H   0.6468000      -4.264000     -0.9174000    
 H  -7.4999998E-03  -5.147300      0.4779000    
 H   -2.963100      8.7499999E-02   1.673900    
 H   -4.820800     -5.7300001E-02  -2.232600    
 H   -4.937400       1.193900       2.568700    
 H   -6.811300       1.043400      -1.307200    
 H   -7.764600       1.914000      0.4966000    


%chk=000160869-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160869

0 1
O -0.137103 -1.810953 1.343562
O 1.867135 1.418848 -1.726357
O 4.655665 -1.399815 1.041571
O -0.530235 1.243434 -1.639296
O -8.325020 -1.396745 0.370168
C 3.294432 0.058719 -0.391768
C 4.509154 0.753683 -0.996221
C 1.980361 0.437023 -0.781765
C 0.780571 -0.181868 -0.222818
C 3.410812 -0.951118 0.582225
C 0.995759 -1.206666 0.775450
C 2.286964 -1.584557 1.168348
C 5.109826 1.813612 -0.077194
C -0.519670 0.286546 -0.728360
C 5.096748 3.164323 -0.268274
C -1.815579 -0.250442 -0.291151
C 4.451884 3.859293 -1.455539
C 5.753394 4.093693 0.741137
C -2.985486 0.235045 -0.825383
C -4.344818 -0.197337 -0.503446
C 0.068172 -2.844495 2.363874
C -4.640760 -1.228920 0.441469
C -5.441709 0.432540 -1.160495
C -5.961308 -1.610467 0.716163
C -6.773021 0.061057 -0.895422
C -7.031974 -0.964631 0.046779
H 5.288631 0.001395 -1.254875
H 4.199093 1.204903 -1.950792
H 2.473122 -2.354150 1.918487
H 5.587973 1.440573 0.843417
H -1.796072 -1.038036 0.461052
H 3.751647 3.208281 -2.002046
H 3.884002 4.745682 -1.112700
H 5.222004 4.229410 -2.162236
H 6.244135 3.537959 1.559286
H 6.515824 4.732389 0.251993
H 5.007111 4.779669 1.189063
H 0.795334 1.545702 -1.880176
H 5.389048 -0.923285 0.576895
H -2.885351 1.032670 -1.575403
H 0.601549 -2.436157 3.242680
H 0.625497 -3.706670 1.951971
H -0.944423 -3.159945 2.656182
H -3.822840 -1.736061 0.963570
H -5.239543 1.225712 -1.889848
H -6.192957 -2.399401 1.437601
H -7.600105 0.561955 -1.414721
H -9.008472 -0.895692 -0.141058


