%chk=000089421.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089421

0 1
 O    3.752000      -2.285600     -0.6811000    
 O    3.402600      -1.621400       1.993100    
 O   -1.898000      -2.605200      0.4364000    
 O   -4.080700      -1.552300     -0.9239000    
 N   9.2699997E-02   3.049000     -0.3773000    
 C   0.6868000       2.307300      0.7677000    
 C    1.510000       1.078500      0.3721000    
 C   0.9721000       3.059300      -1.552100    
 C    1.170200       1.634500      -2.059300    
 C    1.736800      0.7605000     -0.9782000    
 C  -0.4575000       1.881700       1.707700    
 C  -0.2402000       4.431900     -1.4200000E-02
 C    2.102600      0.2705000       1.358200    
 C   -1.418200      0.9670000       1.009700    
 C    2.475900     -0.3813000      -1.320400    
 C    2.851000     -0.8554000       1.010700    
 C    3.029600      -1.186600     -0.3281000    
 C   -1.211400     -0.4083000       1.046300    
 C   -2.508700       1.500100      0.3303000    
 C   -2.105100      -1.259500      0.3963000    
 C   -3.402300      0.6490000     -0.3197000    
 C   -3.200600     -0.7309000     -0.2865000    
 C    3.039700      -3.514300     -0.8158000    
 C   -1.102600      -3.170000     -0.6041000    
 C   -5.196400      -2.018500     -0.1676000    
 H    1.376700       2.971100       1.307700    
 H    1.938500       3.525200      -1.316100    
 H   0.5167000       3.642700      -2.362200    
 H    1.849900       1.659100      -2.919400    
 H   0.2168000       1.209700      -2.397300    
 H  -0.9981000       2.752400       2.098900    
 H  -7.4199997E-02   1.388900       2.610200    
 H  -0.9597000       4.477900      0.8080000    
 H  -0.7165000       4.943900     -0.8584000    
 H   0.6484000       5.004900      0.2749000    
 H    1.988000      0.5187000       2.410800    
 H    2.628900     -0.6348000      -2.367100    
 H  -0.3855000     -0.8401000       1.602400    
 H   -2.689000       2.570900      0.3050000    
 H   -4.254700       1.067500     -0.8479000    
 H    3.915700      -2.335500       1.577200    
 H    3.760800      -4.305800      -1.037100    
 H    2.325400      -3.450300      -1.642700    
 H    2.517100      -3.766000      0.1125000    
 H  -0.1033000      -2.723900     -0.6077000    
 H   -1.582400      -3.023900      -1.576800    
 H   -1.006100      -4.243100     -0.4183000    
 H   -4.860200      -2.598600      0.6976000    
 H   -5.799100      -2.666300     -0.8101000    
 H   -5.815200      -1.177500      0.1609000    


%chk=000089421-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089421

0 1
O 3.508219 -2.528117 -0.302095
O 3.352097 -1.597128 2.209808
O -2.304318 -2.606829 1.030757
O -4.122016 -1.650888 -1.049902
N 0.335784 3.242527 -0.305728
C 0.717798 2.381143 0.848564
C 1.484756 1.116534 0.456393
C 1.064509 3.016929 -1.572197
C 0.963022 1.536645 -1.979404
C 1.564043 0.672302 -0.885826
C -0.569059 2.013010 1.686137
C 0.247302 4.666557 0.057502
C 2.095287 0.352589 1.483926
C -1.515989 1.052219 0.988673
C 2.234760 -0.541603 -1.188794
C 2.752715 -0.849582 1.187822
C 2.814621 -1.303887 -0.160504
C -1.514146 -0.325840 1.319614
C -2.395926 1.498387 -0.032481
C -2.357105 -1.238789 0.654328
C -3.261492 0.594390 -0.686560
C -3.259631 -0.774851 -0.343975
C 3.654129 -3.068754 -1.652641
C -1.758967 -3.492010 -0.022568
C -5.128651 -2.337271 -0.207420
H 1.375209 2.962352 1.544471
H 2.144210 3.308955 -1.504866
H 0.597108 3.658993 -2.343508
H 1.486150 1.371545 -2.940340
H -0.105717 1.287947 -2.130255
H -1.090192 2.960299 1.923773
H -0.234891 1.581915 2.648586
H -0.408084 4.798841 0.936994
H -0.194446 5.239245 -0.778330
H 1.239747 5.122857 0.302741
H 2.068589 0.682426 2.528070
H 2.296240 -0.868476 -2.232411
H -0.837437 -0.718562 2.086541
H -2.388063 2.555443 -0.315627
H -3.956830 0.930773 -1.462901
H 3.762119 -2.406059 1.803421
H 4.209508 -4.010954 -1.535345
H 4.225703 -2.374120 -2.297853
H 2.665324 -3.270461 -2.108184
H -0.709375 -3.216139 -0.243682
H -2.366397 -3.428472 -0.944425
H -1.799115 -4.509679 0.396082
H -4.641138 -2.923763 0.591889
H -5.681492 -2.999273 -0.891913
H -5.819272 -1.596213 0.238844


