%chk=000098041.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098041

0 1
 O  -0.1824000     -0.4622000      0.3621000    
 O    1.668700      -1.814700      0.5693000    
 N    3.760500     -0.6842000     -0.7904000    
 C   -1.041400      -1.606600      0.5092000    
 C   -2.497300      -1.094400      0.3927000    
 C   -2.795600     -0.2631000     -0.8597000    
 C  -0.7586000      -2.153400       1.914000    
 C  -0.7088000      -2.555500     -0.6236000    
 C   -4.210900      0.2452000     -0.8444000    
 C    1.145800     -0.7222000      0.4132000    
 C   -4.661900       1.400300     -0.3198000    
 C    1.919000      0.5351000      0.2510000    
 C  -0.7409000      -3.893600     -0.6020000    
 C    3.170900      0.5148000     -0.3314000    
 C   -3.710100       2.364900      0.3355000    
 C   -6.094600       1.853100     -0.3366000    
 C    1.340600       1.706800      0.7011000    
 C    3.872500       1.712400     -0.4699000    
 C    2.042300       2.904300      0.5628000    
 C    3.308300       2.907100     -2.2600001E-02
 C    5.173800     -0.8941000     -0.8103000    
 H   -2.705600     -0.4664000       1.270400    
 H   -3.192400      -1.943300      0.4487000    
 H   -2.084300      0.5611000     -0.9741000    
 H   -2.674200     -0.8800000      -1.758300    
 H  -0.6832000      -1.341700       2.647600    
 H   -1.573200      -2.813700       2.236100    
 H   0.1552000      -2.748600       1.996700    
 H  -0.4603000      -2.094300      -1.579400    
 H   -4.940600     -0.4223000      -1.300500    
 H   -1.008200      -4.444100      0.2923000    
 H  -0.5014000      -4.462100      -1.494200    
 H   -4.087700       2.642300       1.326200    
 H   -2.700800       1.977600      0.4893000    
 H   -3.631300       3.277300     -0.2650000    
 H   -6.187400       2.806100     -0.8671000    
 H   -6.466500       1.982300      0.6849000    
 H   -6.741200       1.126000     -0.8388000    
 H   0.3639000       1.735700       1.175500    
 H    4.856000       1.752300     -0.9291000    
 H    1.604600       3.834300      0.9136000    
 H    3.166800      -1.505000     -0.8321000    
 H    3.853700       3.840100     -0.1315000    
 H    5.386400      -1.945500      -1.029900    
 H    5.658500     -0.2984000      -1.590100    
 H    5.629000     -0.6620000      0.1582000    


%chk=000098041-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098041

0 1
O -0.184591 -0.655415 0.403195
O 1.750700 -1.926402 0.082363
N 4.044466 -0.609154 -0.269119
C -1.075216 -1.888349 0.503224
C -2.487525 -1.249000 0.638996
C -2.944167 -0.396213 -0.575016
C -0.710202 -2.669957 1.778532
C -0.952060 -2.688466 -0.786812
C -4.291677 0.250976 -0.328140
C 1.187477 -0.789569 0.198985
C -4.582634 1.581997 -0.241892
C 1.885658 0.507945 0.132331
C -1.101808 -4.028798 -0.905848
C 3.316663 0.551282 -0.107208
C -3.566688 2.701318 -0.392904
C -6.005946 2.052757 0.018097
C 1.167683 1.725594 0.300741
C 3.948849 1.836785 -0.170987
C 1.807610 2.972991 0.237202
C 3.207620 3.015420 -0.002501
C 5.482641 -0.642511 -0.515360
H -2.488761 -0.617345 1.547899
H -3.207335 -2.073624 0.807199
H -2.167096 0.355731 -0.794106
H -3.016002 -1.053615 -1.465416
H -0.724486 -1.991168 2.649147
H -1.453110 -3.467482 1.958917
H 0.287455 -3.125518 1.686722
H -0.782890 -2.080624 -1.687284
H -5.125606 -0.457678 -0.193544
H -1.261805 -4.683413 -0.041476
H -1.047313 -4.516600 -1.884958
H -3.563352 3.346941 0.508083
H -2.539400 2.335627 -0.552453
H -3.831088 3.355248 -1.247936
H -6.366030 2.703988 -0.803582
H -6.062926 2.655821 0.946553
H -6.707231 1.205730 0.115732
H 0.092272 1.661112 0.489239
H 5.025792 1.897185 -0.352638
H 1.238214 3.897836 0.371086
H 3.498396 -1.481896 -0.201324
H 3.722144 3.982293 -0.056184
H 5.802783 -1.693153 -0.605343
H 5.757458 -0.120695 -1.454621
H 6.058764 -0.180232 0.312011


