%chk=000093600.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093600

0 1
 O  -0.2536000     -0.2086000      -2.340400    
 O   0.7839000      -2.663500       1.586200    
 O    3.281900      -2.450600      -1.808500    
 O   -4.874000       1.404000     -0.4186000    
 O   -5.961700     -0.1779000      0.8516000    
 N    1.998300      0.2847000      0.2399000    
 C   0.8146000      -1.624300     -0.6400000    
 C   -1.441700     -0.7977000     -0.3683000    
 C   -1.137200      -1.517700      0.7837000    
 C  -0.2901000     -0.7916000      -1.273200    
 C   0.2330000      -2.029000      0.7063000    
 C    2.077600     -0.8536000     -0.4922000    
 C   -2.673500     -0.1984000     -0.5453000    
 C   -2.051400      -1.668800       1.808100    
 C    3.244300      -1.305200      -1.082700    
 C   -3.612400     -0.3430000      0.4797000    
 C   -3.304100      -1.071100       1.645300    
 C    3.113800       1.020500      0.4046000    
 C    4.348200      0.6381000     -0.1608000    
 C    4.391900     -0.5447000     -0.9112000    
 C    3.070900       2.195700       1.149900    
 C    5.492700       1.430400      3.1399999E-02
 C   -4.925200      0.2688000      0.3431000    
 C    4.208600       2.983600       1.341100    
 C    5.421200       2.600900      0.7813000    
 C   -6.107800       2.100000     -0.6255000    
 C   -5.848300       3.318700      -1.485200    
 H   0.9157000      -2.537400      -1.237500    
 H   -2.888500      0.3497000      -1.456500    
 H   -1.815900      -2.225800       2.707800    
 H   -4.039500      -1.174600       2.440200    
 H    5.328200     -0.8689000      -1.361400    
 H    2.132900       2.517400       1.598900    
 H    6.447000       1.140000     -0.4024000    
 H    4.143700       3.895400       1.927800    
 H    6.307500       3.210700      0.9276000    
 H    4.187500      -2.589600      -2.134800    
 H   -6.819900       1.435900      -1.127400    
 H   -6.518000       2.408300      0.3424000    
 H   -6.772400       3.875300      -1.663900    
 H   -5.122900       3.982600      -1.003400    
 H   -5.419500       3.025700      -2.449200    


%chk=000093600-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093600

0 1
O -0.209848 0.137809 -2.314809
O 0.787766 -2.746399 1.470746
O 3.125449 -2.276658 -2.089037
O -5.153613 1.331850 -0.555223
O -5.867562 0.396349 1.457700
N 2.198830 0.287073 0.362343
C 0.824570 -1.448899 -0.672820
C -1.443998 -0.565278 -0.311760
C -1.151051 -1.402960 0.793557
C -0.280637 -0.519427 -1.249311
C 0.225400 -1.971552 0.660627
C 2.154943 -0.746049 -0.494791
C -2.685110 0.089728 -0.424828
C -2.095166 -1.608958 1.821823
C 3.313344 -1.183872 -1.232695
C -3.636345 -0.112828 0.605518
C -3.339315 -0.955509 1.718485
C 3.396309 0.961348 0.549728
C 4.605137 0.584505 -0.156303
C 4.529257 -0.520247 -1.063257
C 3.430222 2.057729 1.466803
C 5.808553 1.323467 0.081935
C -4.984525 0.539339 0.575483
C 4.618674 2.761169 1.680594
C 5.813488 2.391182 0.983580
C -6.472669 2.029595 -0.678299
C -6.417718 2.849918 -1.961950
H 0.970700 -2.301482 -1.364317
H -2.910480 0.735969 -1.276856
H -1.856153 -2.256652 2.670601
H -4.109938 -1.075973 2.487092
H 5.426275 -0.832929 -1.613703
H 2.501888 2.316850 1.984822
H 6.725327 1.041970 -0.450079
H 4.641763 3.600493 2.383854
H 6.737235 2.952536 1.162026
H 3.959447 -2.515790 -2.564383
H -7.266209 1.260852 -0.695925
H -6.616353 2.653352 0.222298
H -7.373424 3.387462 -2.100173
H -5.604084 3.593818 -1.921092
H -6.254580 2.201500 -2.839506


