%chk=000043262.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043262

0 1
 O   -1.339700      0.6585000      -1.075800    
 O   -2.510400      -1.236100      0.9622000    
 O   -2.501300      -1.403200      -1.381300    
 O   0.8828000      7.4400000E-02  0.8928000    
 O  -7.7799998E-02   3.033300       1.404500    
 O  -0.2280000       4.719100     -0.8223000    
 N    4.694600      -1.197600     -0.4494000    
 C   -1.164000      -1.102200      0.5082000    
 C  -0.5237000      0.1344000       1.087400    
 C   -1.145100       1.234300      0.2303000    
 C   -1.297100     -0.7736000     -0.9593000    
 C   -3.263900      -1.632000     -0.1902000    
 C  -0.3234000       2.503900      0.1013000    
 C   -3.577000      -3.120800     -9.3999997E-02
 C   -4.540200     -0.8037000     -0.2479000    
 C   -1.055100       3.565600     -0.7122000    
 C    1.449200      -1.064400       1.527100    
 C    2.948900      -1.079700       1.263500    
 C    3.254000      -1.163300     -0.2287000    
 C    4.994500      -1.371500      -1.871800    
 C    5.323000      2.4499999E-02  5.5700000E-02
 H  -0.7084000      -2.078300      0.6562000    
 H  -0.7450000      0.2936000       2.148800    
 H   -2.142000       1.468200      0.6275000    
 H  -0.4544000      -1.131200      -1.559100    
 H   0.6489000       2.310300     -0.3659000    
 H   -4.146400      -3.464400     -0.9639000    
 H   -4.137900      -3.350900      0.8179000    
 H   -2.652200      -3.708200     -6.1900001E-02
 H   -4.302200      0.2636000     -0.3207000    
 H   -5.144000     -0.9388000      0.6556000    
 H   -5.142100      -1.060200      -1.126000    
 H   -1.283000       3.211000      -1.721800    
 H   -1.983800       3.871100     -0.2186000    
 H    1.073200      -2.013500       1.147000    
 H    1.264800      -1.014500       2.606400    
 H  -0.9376000       3.208800       1.824000    
 H    3.404200      -1.922900       1.796800    
 H    3.347400     -0.1550000       1.694000    
 H    2.800900      -2.081600     -0.6235000    
 H    2.795800     -0.3226000     -0.7658000    
 H  -0.7223000       5.375300      -1.342600    
 H    4.552100      -2.300800      -2.247900    
 H    4.618200     -0.5397000      -2.478400    
 H    6.075500      -1.454400      -2.031000    
 H    6.376200      6.4700000E-02 -0.2488000    
 H    4.835800      0.9325000     -0.3183000    
 H    5.347400      5.0700001E-02   1.149100    


%chk=000043262-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043262

0 1
O -1.696359 0.908263 -1.040617
O -2.473298 -1.791049 0.372418
O -2.975535 -1.030516 -1.818946
O 0.857238 -0.216162 0.319785
O -0.347990 2.423234 2.062818
O -0.618574 4.682148 0.627844
N 5.126674 -1.110359 -0.170871
C -1.211439 -1.320108 -0.234532
C -0.548399 -0.301878 0.711883
C -1.347460 0.996002 0.407213
C -1.671130 -0.499712 -1.468275
C -3.586310 -1.667786 -0.618136
C -0.588220 2.305791 0.613405
C -4.075616 -3.057457 -1.028385
C -4.672328 -0.767653 -0.022640
C -1.389261 3.520415 0.129699
C 1.786053 0.003272 1.457767
C 3.198653 0.129301 0.884146
C 3.689874 -1.164329 0.203277
C 5.647373 -2.448388 -0.520552
C 5.411468 -0.127678 -1.237300
H -0.544264 -2.164348 -0.473207
H -0.657696 -0.602776 1.769743
H -2.274285 1.000042 1.016848
H -1.056576 -0.557915 -2.377400
H 0.375018 2.263099 0.067642
H -4.834119 -2.972195 -1.825674
H -4.524175 -3.572908 -0.162021
H -3.232425 -3.659551 -1.404983
H -4.270324 0.241180 0.163481
H -5.038028 -1.193329 0.927805
H -5.518753 -0.683407 -0.725636
H -1.458018 3.515442 -0.973167
H -2.407168 3.512447 0.572417
H 1.714799 -0.865169 2.150047
H 1.483539 0.918292 2.003533
H -0.146096 3.385194 2.221826
H 3.895379 0.376971 1.708751
H 3.210395 0.978436 0.175402
H 3.567124 -2.002642 0.917994
H 3.036873 -1.388298 -0.677764
H -1.079120 5.524695 0.396417
H 5.492052 -3.141681 0.325633
H 5.161237 -2.895211 -1.426495
H 6.733361 -2.385489 -0.715402
H 6.494124 -0.129700 -1.457770
H 4.862471 -0.342766 -2.190761
H 5.138660 0.888937 -0.908062


