%chk=000063180.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063180

0 1
 O   -6.334400      -2.739300     -0.1544000    
 O   -3.661400      -1.968900     -0.1688000    
 O    3.523500       2.839700      0.5798000    
 O    7.935100      0.4882000     -9.4999999E-02
 N   -5.679300      0.8432000      0.5140000    
 N    1.910800       1.157400      0.3607000    
 N    2.590500      -1.065600     -0.1743000    
 C   -5.896500       2.037700     -0.2909000    
 C   -6.128500     -0.3492000     -0.1917000    
 C   -5.902200      -1.622100      0.6274000    
 C   -7.392900       2.183200     -0.5917000    
 C   -5.108100       1.895900      -1.597200    
 C   -5.396800       3.254200      0.4955000    
 C   -4.442000      -1.838100       1.018500    
 C   -2.372100      -1.537000     -0.1133000    
 C    1.662000     -0.1904000      5.9900001E-02
 C   0.2643000     -0.6568000       0.000000    
 C    4.285900      0.6790000      0.1147000    
 C    3.926600     -0.6465000     -0.1418000    
 C    3.218400       1.667800      0.3753000    
 C   -1.670700      -1.588100       1.091500    
 C   -1.751300      -1.044500      -1.261300    
 C  -0.3488000      -1.146700       1.148200    
 C  -0.4293000     -0.6031000      -1.204400    
 C    5.630900       1.065500      0.1311000    
 C   0.8260000       2.088800      0.6785000    
 C    4.935800      -1.585800     -0.3829000    
 C    6.625300      0.1188000     -0.1109000    
 C    6.278700      -1.205800     -0.3674000    
 C    8.900400     -0.5313000     -0.3489000    
 H   -6.173000      0.9204000       1.402900    
 H   -7.200500     -0.3188000     -0.4138000    
 H   -5.617400     -0.4961000      -1.148400    
 H   -6.514200      -1.598800       1.537200    
 H   -8.000900       2.093400      0.3165000    
 H   -7.597800       3.175600      -1.012400    
 H   -7.763700       1.464700      -1.330100    
 H   -5.057000       2.863300      -2.112700    
 H   -4.073100       1.581500      -1.416200    
 H   -5.563000       1.204100      -2.313800    
 H   -5.940600       3.371200       1.440300    
 H   -5.530300       4.178700     -7.7799998E-02
 H   -4.330100       3.164800      0.7332000    
 H   -4.114800      -1.003900       1.650900    
 H   -4.351500      -2.774600       1.581500    
 H   -7.279400      -2.614600     -0.3470000    
 H   -2.105700      -1.992800       2.000500    
 H   -2.293300      -1.001100      -2.202000    
 H   0.1922000      -1.196300       2.089500    
 H   4.5699999E-02 -0.2202000      -2.103600    
 H    5.916100       2.095000      0.3314000    
 H    1.195900       3.087700      0.9224000    
 H   0.1557000       2.161000     -0.1832000    
 H   0.2624000       1.704500       1.533600    
 H    4.679200      -2.623000     -0.5863000    
 H    6.999400      -1.992200     -0.5636000    
 H    8.795000     -0.9430000      -1.358400    
 H    8.876200      -1.309400      0.4216000    
 H    9.888000     -6.1400000E-02 -0.2972000    


%chk=000063180-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063180

0 1
O -5.899539 -2.938901 -0.830672
O -3.655743 -1.078798 -0.614570
O 4.327247 2.607245 -1.618749
O 8.309807 -0.150434 0.071033
N -6.542490 0.388441 0.838012
N 2.471344 1.325993 -0.973979
N 2.704135 -0.794738 0.150911
C -6.651920 1.853931 0.533035
C -6.474139 -0.569089 -0.281069
C -5.808168 -1.884225 0.189662
C -7.870535 2.177432 -0.382457
C -5.342700 2.340752 -0.136621
C -6.821535 2.566346 1.896946
C -4.330143 -1.715815 0.529708
C -2.293699 -0.804419 -0.498466
C 1.939132 0.133052 -0.421048
C 0.473597 -0.128120 -0.468105
C 4.724546 0.500510 -0.471610
C 4.092391 -0.619989 0.160061
C 3.884628 1.548839 -1.076140
C -1.506502 -1.083956 0.649396
C -1.690889 -0.209530 -1.636927
C -0.137156 -0.754610 0.648025
C -0.328055 0.126266 -1.617861
C 6.130593 0.626214 -0.486471
C 1.630903 2.477170 -1.387617
C 4.912749 -1.600979 0.780682
C 6.924450 -0.358186 0.133942
C 6.310460 -1.477742 0.773656
C 9.180144 -1.148040 0.698097
H -7.256868 0.113273 1.527500
H -7.474519 -0.821877 -0.717881
H -5.859675 -0.148583 -1.092725
H -6.313614 -2.222961 1.124829
H -8.817987 1.867833 0.099234
H -7.931860 3.261522 -0.591934
H -7.788955 1.652458 -1.352114
H -5.372273 3.436809 -0.276205
H -4.474850 2.084933 0.495594
H -5.187318 1.882062 -1.129751
H -7.743827 2.229777 2.410618
H -6.892710 3.659833 1.760098
H -5.959985 2.347301 2.552099
H -4.245506 -1.064793 1.421123
H -3.879037 -2.707887 0.724703
H -6.811352 -2.933323 -1.219023
H -1.943277 -1.557483 1.532774
H -2.306113 -0.034872 -2.524482
H 0.486786 -0.991651 1.515160
H 0.121516 0.554216 -2.519604
H 6.593179 1.490380 -0.971440
H 2.168699 3.401205 -1.123545
H 1.473531 2.488601 -2.480102
H 0.661714 2.432202 -0.872596
H 4.422048 -2.456633 1.254172
H 6.918544 -2.248345 1.256894
H 9.055521 -2.143954 0.230102
H 8.991882 -1.221626 1.787014
H 10.202792 -0.783134 0.523882


