%chk=000091443.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091443

0 1
 O   -5.066100      -1.112900       2.418100    
 O    4.238300       1.958300       1.756300    
 O    7.328000      0.6119000      -1.991900    
 O    5.186800      0.6987000      -2.738700    
 O    5.418400      -4.403100     -4.9100000E-02
 O    6.673000      -3.297100       1.484000    
 N   -4.685800       1.042900      0.7202000    
 N   -5.398200      0.7346000      -1.903400    
 N   -2.025800       1.978100      0.6864000    
 N   -5.999900      -1.572900      -1.420200    
 N   -5.836400      -2.490900      0.7493000    
 N    4.184300      0.7897000     -0.2457000    
 N   -6.608000      -3.763500      -1.072200    
 C   -4.287100       2.118600     -0.1819000    
 C   -5.170800       2.098600      -1.445900    
 C   -2.805100       1.967700     -0.5227000    
 C   -5.198100     -0.1524000      0.2615000    
 C   -5.536800     -0.3371000      -1.034300    
 C  -0.6429000       1.855000      0.7174000    
 C   -5.359300      -1.284500       1.237300    
 C   -6.132900      -2.602500     -0.5196000    
 C    5.607700      0.5596000     -0.3440000    
 C    6.048600     -0.7319000      0.3556000    
 C   7.1199998E-02   1.712100     -0.4721000    
 C   3.1900000E-02   1.875700       1.938100    
 C    2.135300       1.610200      0.7794000    
 C    1.460400       1.589700     -0.4411000    
 C    1.421000       1.753400       1.969000    
 C    5.463800      -2.031900     -0.2112000    
 C    3.583700       1.483000      0.8116000    
 C    5.981400      0.6187000      -1.810900    
 C    5.919500      -3.275800      0.5207000    
 H   -4.434200       3.076700      0.3324000    
 H   -6.146100       2.541400      -1.209400    
 H   -4.729300       2.697100      -2.249700    
 H   -2.504800       2.796900      -1.174900    
 H   -2.640100       1.028800      -1.065900    
 H   -4.424200       1.094900       1.699000    
 H   -5.682700      0.5788000      -2.864400    
 H   -2.500800       2.100400       1.574000    
 H   -6.243300      -1.687900      -2.397600    
 H    6.106400       1.408300      0.1410000    
 H    7.143800     -0.8012000      0.3207000    
 H    5.785100     -0.6664000       1.419600    
 H  -0.4137000       1.698800      -1.443800    
 H  -0.5125000       1.985600       2.872700    
 H    3.604000      0.3495000     -0.9523000    
 H    1.979800       1.512100      -1.391800    
 H    1.927500       1.767300       2.930600    
 H    4.370100      -1.999600     -0.1551000    
 H    5.759300      -2.139100      -1.260700    
 H   -6.830900      -3.827200      -2.059500    
 H   -6.749100      -4.594200     -0.5077000    
 H    7.569400      0.6665000      -2.941100    
 H    5.725800      -5.212900      0.4114000    


%chk=000091443-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091443

0 1
O -6.224189 0.472341 2.634096
O 4.016069 0.515136 2.266449
O 7.980103 1.454698 -0.743136
O 6.046509 1.841674 -1.966915
O 6.150669 -3.868340 -1.647947
O 7.015173 -3.554761 0.483687
N -4.862610 1.466956 0.431515
N -5.392138 0.222460 -2.103114
N -2.078891 1.480526 0.295749
N -6.533822 -1.556481 -0.908281
N -6.923381 -1.462392 1.466164
N 4.454010 0.856376 0.020881
N -7.673310 -3.302493 0.220307
C -4.241169 2.036757 -0.768236
C -5.112980 1.674183 -2.022831
C -2.780476 1.531044 -0.980005
C -5.626654 0.295207 0.329947
C -5.804810 -0.348575 -0.881024
C -0.709756 1.289372 0.439048
C -6.282150 -0.209680 1.557043
C -7.026228 -2.078206 0.290509
C 5.897482 0.737668 0.243007
C 6.375491 -0.733954 0.444167
C 0.175961 1.244016 -0.681455
C -0.149700 1.139261 1.747737
C 2.116433 0.938931 0.808435
C 1.559641 1.075516 -0.490747
C 1.227590 0.966775 1.920244
C 6.049096 -1.635587 -0.758088
C 3.571376 0.755438 1.092965
C 6.602606 1.400813 -0.932990
C 6.464299 -3.074546 -0.529802
H -4.211122 3.136540 -0.652287
H -6.072182 2.216928 -1.952669
H -4.604088 1.990091 -2.949416
H -2.271127 2.231629 -1.671185
H -2.794848 0.531230 -1.475913
H -5.069792 2.031671 1.260691
H -4.761018 -0.327747 -2.695376
H -2.691321 1.303753 1.099431
H -6.858797 -1.902606 -1.813156
H 6.166026 1.281759 1.170833
H 7.461305 -0.728922 0.641864
H 5.876270 -1.111405 1.352069
H -0.216652 1.328550 -1.699477
H -0.813452 1.162900 2.620635
H 4.157711 1.199135 -0.896295
H 2.192558 1.029452 -1.385827
H 1.659401 0.847751 2.919443
H 4.963272 -1.622346 -0.972812
H 6.545223 -1.289952 -1.686714
H -7.565060 -3.938465 -0.565478
H -8.055959 -3.650191 1.096875
H 8.410191 1.890893 -1.527825
H 6.432813 -4.806179 -1.467290


