%chk=000117114.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117114

0 1
 O   -1.372600       3.179900     -0.5855000    
 O    1.372800      -3.179500     -0.5850000    
 O   0.5788000       3.651300      0.5675000    
 O  -0.5789000      -3.651200      0.5671000    
 N    2.377600       1.538000      5.7700001E-02
 N   -2.377600      -1.538000      5.8499999E-02
 C   -1.330000      0.6399000      5.7500001E-02
 C    1.330000     -0.6397000      5.7700001E-02
 C    1.182300      0.8683000      5.7599999E-02
 C   -1.182300     -0.8681000      5.7599999E-02
 C  -4.5800000E-02   1.422500      5.7399999E-02
 C   4.5699999E-02  -1.422400      5.7700001E-02
 C  -0.2177000       2.886300      5.8200002E-02
 C   0.2178000      -2.886100      5.8300000E-02
 C    3.667300       1.002600      5.7300001E-02
 C   -3.667300      -1.002700      5.7700001E-02
 C    4.323700      0.7293000      -1.151100    
 C   -4.324000     -0.7305000      -1.150700    
 C    4.324900      0.7299000       1.265100    
 C   -4.324900     -0.7289000       1.265400    
 C    6.256600     -7.2800003E-02  5.6499999E-02
 C   -6.256700      7.2600000E-02  5.6299999E-02
 C    5.612000      0.1943000      -1.151300    
 C   -5.612200     -0.1957000      -1.151300    
 C    5.613200      0.1950000       1.264600    
 C   -5.613100     -0.1941000       1.264600    
 C    7.634300     -0.6439000      5.6000002E-02
 C   -7.634400      0.6435000      5.5599999E-02
 C   -1.681200       4.575000     -0.6687000    
 C    1.681700      -4.574600     -0.6684000    
 H   -1.905200      0.9465000      0.9411000    
 H   -1.898600      0.9090000     -0.8421000    
 H    1.905100     -0.9462000      0.9414000    
 H    1.898500     -0.9090000     -0.8419000    
 H    2.334300       2.551000      5.0900001E-02
 H   -2.334200      -2.551000      5.2000001E-02
 H    3.833000      0.9334000      -2.099800    
 H   -3.833100     -0.9345000      -2.099400    
 H    3.835000      0.9345000       2.214200    
 H   -3.834500     -0.9319000       2.214600    
 H    6.103600     -8.3999997E-03  -2.099100    
 H   -6.102600      9.4999997E-03  -2.099200    
 H    6.105700     -7.0000002E-03   2.212100    
 H   -6.104100      1.2100000E-02   2.212000    
 H    7.801600      -1.273100      0.9369000    
 H    8.375000      0.1619000      5.4800000E-02
 H    7.800200      -1.274700     -0.8239000    
 H   -7.587800       1.737000      5.5799998E-02
 H   -8.197400      0.3163000     -0.8253000    
 H   -8.198500      0.3160000      0.9356000    
 H   -1.796400       4.998100      0.3338000    
 H  -0.9007000       5.103500      -1.224300    
 H   -2.627700       4.681900      -1.205400    
 H   0.9014000      -5.103000      -1.224400    
 H    2.628300      -4.681400      -1.204700    
 H    1.796500      -4.997800      0.3341000    


%chk=000117114-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117114

0 1
O -1.240055 3.423732 -0.085651
O 1.240075 -3.423553 -0.027987
O 1.047860 3.544722 0.355950
O -1.046826 -3.536622 0.420993
N 2.453743 1.349010 -0.052344
N -2.453596 -1.348284 -0.022646
C -1.248756 0.744344 -0.722826
C 1.247428 -0.755889 -0.712079
C 1.266311 0.724280 -0.376850
C -1.266958 -0.729602 -0.361309
C 0.055428 1.434649 -0.354090
C -0.056015 -1.439512 -0.328594
C 0.035340 2.840402 -0.003345
C -0.035133 -2.838829 0.046958
C 3.791683 0.870861 -0.064386
C -3.791671 -0.870726 -0.041010
C 4.294038 -0.089659 -0.981621
C -4.295971 0.073254 -0.974215
C 4.698153 1.461461 0.861051
C -4.696339 -1.444925 0.896449
C 6.562325 0.109452 -0.019274
C -6.562584 -0.109513 -0.004529
C 5.655228 -0.462960 -0.944108
C -5.657253 0.446646 -0.940946
C 6.054156 1.088380 0.876492
C -6.052426 -1.072033 0.907709
C 8.025101 -0.296784 0.015750
C -8.025573 0.296366 0.025265
C -1.309836 4.851118 0.292203
C 1.310769 -4.844039 0.374857
H -2.082714 1.266373 -0.225885
H -1.437889 0.852534 -1.813677
H 2.082342 -1.269110 -0.207585
H 1.434712 -0.883330 -1.801172
H 2.302782 2.339046 0.251447
H -2.301893 -2.332802 0.298213
H 3.644978 -0.522628 -1.746333
H -3.648364 0.493162 -1.747412
H 4.324499 2.209322 1.570282
H -4.321220 -2.179785 1.618377
H 6.019092 -1.206588 -1.663437
H -6.022608 1.177258 -1.672760
H 6.730002 1.559594 1.600854
H -6.726736 -1.530431 1.641667
H 8.289681 -0.766358 0.982418
H 8.690880 0.577362 -0.112413
H 8.262802 -1.020247 -0.783006
H -8.290629 0.777803 0.985919
H -8.263529 1.009612 -0.782565
H -8.690881 -0.579679 -0.092178
H -0.981792 4.991705 1.336143
H -0.666950 5.457273 -0.368398
H -2.369055 5.120340 0.170887
H 0.661995 -5.461020 -0.269736
H 2.368685 -5.116971 0.250508
H 0.990566 -4.965279 1.423673


