%chk=000166448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166448

0 1
 O    3.692200      -2.666300     -0.5307000    
 O   -7.060100      -1.047900      0.7062000    
 O   -7.227900      0.3244000     -0.9989000    
 N    4.958300       1.783900      0.3379000    
 N    1.591700      -1.620500     -0.4491000    
 N  -0.4304000      0.3641000     -0.2235000    
 N   -1.135200       1.134800      0.4680000    
 N   -6.556900     -0.2163000     -8.7099999E-02
 N   -1.695600      -1.250500       3.085500    
 N   -2.225000       3.106900      -2.317100    
 C    3.603100       1.420500      0.1948000    
 C    5.406300       3.109900     -3.8199998E-02
 C    5.918200      0.8406000      0.8762000    
 C    3.259800      9.2100002E-02 -5.6299999E-02
 C    1.919300     -0.2672000     -0.1957000    
 C    2.606000       2.389600      0.3069000    
 C   0.9222000      0.7022000     -8.5000001E-02
 C    1.265500       2.030600      0.1665000    
 C    5.152300       3.347900      -1.514300    
 C    5.528300      0.4470000       2.288000    
 C    1.697300      -3.982000     -0.8523000    
 C    2.467200      -2.694400     -0.5849000    
 C    2.586500      -5.212800      -1.014400    
 C    1.786400      -6.480300      -1.279400    
 C   -2.491800      0.7955000      0.3287000    
 C   -3.072800     -0.1291000       1.196700    
 C   -3.257200       1.383600     -0.6783000    
 C   -5.185100      0.1238000      5.1700000E-02
 C   -4.419700     -0.4645000       1.058600    
 C   -4.603700       1.047300     -0.8171000    
 C   -2.312000     -0.7485000       2.240000    
 C   -2.687100       2.335500      -1.583500    
 H    4.933600       3.885900      0.5738000    
 H    6.483000       3.220900      0.1392000    
 H    6.031900     -4.0199999E-02  0.2351000    
 H    6.918100       1.289600      0.9191000    
 H    4.059200     -0.6203000     -0.1639000    
 H    2.827900       3.431300      0.5162000    
 H   0.5252000       2.823400      0.2412000    
 H    5.591600       4.304200      -1.817400    
 H    4.088500       3.389000      -1.764600    
 H    5.610000       2.561600      -2.124800    
 H    6.314300     -0.1737000       2.731200    
 H    4.600600     -0.1306000       2.329300    
 H    5.402300       1.330600       2.923400    
 H   0.5954000      -1.810600     -0.5352000    
 H    1.001100      -4.139200     -1.9200001E-02
 H    1.101200      -3.837300      -1.761800    
 H    3.290100      -5.053400      -1.840400    
 H    3.191400      -5.352400     -0.1103000    
 H    1.199700      -6.386900      -2.198700    
 H    2.458400      -7.337200      -1.389200    
 H    1.100000      -6.688900     -0.4527000    
 H   -4.855100      -1.187200       1.746300    
 H   -5.184500       1.517100      -1.608800    


%chk=000166448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166448

0 1
O 3.674762 -2.699346 -0.318397
O -7.126703 -1.622911 -0.465826
O -7.691790 0.589431 -0.340631
N 4.994566 1.867704 0.143457
N 1.581115 -1.632800 -0.310336
N -0.378953 0.247253 -0.193494
N -1.336681 1.179393 -0.134629
N -6.823040 -0.368068 -0.379364
N -1.453814 -2.780236 -0.396195
N -3.013816 4.239919 0.007045
C 3.668293 1.488463 0.065432
C 5.405805 3.272483 0.391519
C 6.099973 0.886905 -0.014948
C 3.316828 0.108380 -0.079309
C 1.973290 -0.291627 -0.168444
C 2.609048 2.478702 0.124835
C 0.915722 0.707986 -0.104872
C 1.283647 2.089364 0.042856
C 5.524160 4.108319 -0.902649
C 6.473565 0.174399 1.304280
C 1.678134 -4.089778 -0.601980
C 2.409296 -2.766973 -0.396783
C 2.158424 -5.177016 0.394202
C 1.532814 -6.552259 0.083224
C -2.637871 0.683867 -0.208189
C -3.054909 -0.698687 -0.306098
C -3.668820 1.694483 -0.171527
C -5.395827 -0.005748 -0.321278
C -4.427712 -1.027964 -0.360836
C -5.033598 1.354777 -0.227774
C -2.120731 -1.787981 -0.350333
C -3.284828 3.078422 -0.073894
H 4.701809 3.744907 1.098111
H 6.384222 3.240754 0.904331
H 5.826586 0.148034 -0.787623
H 6.974324 1.441162 -0.402018
H 4.069225 -0.678060 -0.106947
H 2.844786 3.541314 0.217076
H 0.473872 2.824115 0.078946
H 5.868152 5.130839 -0.663795
H 4.554008 4.181837 -1.423635
H 6.251637 3.657135 -1.600834
H 7.321390 -0.512494 1.132285
H 5.628136 -0.418245 1.691928
H 6.772050 0.902738 2.079687
H 0.562701 -1.787778 -0.356367
H 0.584138 -3.960160 -0.539556
H 1.911550 -4.432922 -1.630597
H 3.261480 -5.235607 0.351047
H 1.893150 -4.870157 1.425007
H 1.815318 -6.896962 -0.929623
H 1.872545 -7.315713 0.806517
H 0.428688 -6.509850 0.128546
H -4.754052 -2.069137 -0.433968
H -5.812064 2.120994 -0.199883


