%chk=000114342.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114342

0 1
 O   -1.709700     -3.5100002E-02  2.0800000E-02
 O    1.712100     -3.4000002E-02 -2.1299999E-02
 O   -2.726300     -0.9354000      -1.817400    
 O    2.770200     -0.8833000       1.817700    
 N   -3.297500      -1.695000      0.3050000    
 N    3.295800      -1.699200     -0.2956000    
 C   9.9999997E-05   1.728200     -4.8000002E-03
 C   0.7860000       2.601300      -1.028300    
 C  -0.8045000       2.586700       1.016300    
 C  -0.9499000      0.8153000     -0.8283000    
 C   0.9697000      0.8385000      0.8212000    
 C    1.818300       3.552600     -0.4350000    
 C   -1.857300       3.513700      0.4207000    
 C   -2.589800     -0.8924000     -0.5959000    
 C    2.606900     -0.8733000      0.5989000    
 C   -3.095600      -1.601700       1.743800    
 C   -4.282200      -2.675500     -0.1416000    
 C    3.062100      -1.645000      -1.731600    
 C    4.291600      -2.666500      0.1554000    
 H    1.306900       1.947100      -1.739900    
 H   8.3200000E-02   3.188500      -1.631800    
 H  -0.1143000       3.190700       1.617800    
 H   -1.310800       1.924200       1.730800    
 H   -1.632600       1.422700      -1.434500    
 H  -0.3674000      0.1926000      -1.519500    
 H   0.3995000      0.2299000       1.535000    
 H    1.661600       1.459300       1.402600    
 H    2.294200       4.125800      -1.237900    
 H    1.361500       4.270300      0.2516000    
 H    2.610600       3.015200      9.2799999E-02
 H   -2.349100       4.075300       1.222300    
 H   -2.634700       2.957700     -0.1102000    
 H   -1.415300       4.242000     -0.2644000    
 H   -4.048800      -1.339400       2.212500    
 H   -2.351200     -0.8557000       2.028000    
 H   -2.768900      -2.578600       2.113100    
 H   -3.969800      -3.667800      0.1959000    
 H   -4.368800      -2.677700      -1.231000    
 H   -5.252900      -2.424700      0.2953000    
 H    4.004800      -1.396400      -2.228300    
 H    2.311800     -0.9063000      -2.019500    
 H    2.727100      -2.631300      -2.066700    
 H    3.973400      -3.667700     -0.1483000    
 H    4.402100      -2.639300       1.242300    
 H    5.252100      -2.426600     -0.3093000    


%chk=000114342-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114342

0 1
O -1.742079 -0.014125 0.083187
O 1.742222 -0.002144 -0.078590
O -2.698866 -1.045727 -1.797982
O 2.680978 -1.033682 1.811749
N -3.276683 -1.713178 0.381761
N 3.274867 -1.705258 -0.362447
C -0.005898 1.720497 -0.006706
C 0.805179 2.588584 -1.023715
C -0.824419 2.593709 0.999999
C -0.939481 0.821008 -0.846830
C 0.935007 0.837917 0.843003
C 1.782818 3.608348 -0.399585
C -1.808072 3.600136 0.363616
C -2.592980 -0.947016 -0.543343
C 2.585638 -0.936198 0.556192
C -3.121883 -1.583448 1.837478
C -4.218889 -2.731120 -0.104151
C 3.132931 -1.576248 -1.819539
C 4.209845 -2.725644 0.132195
H 1.374574 1.904715 -1.682170
H 0.089971 3.128219 -1.675999
H -0.114094 3.144947 1.647956
H -1.390343 1.912743 1.664392
H -1.627661 1.419410 -1.470164
H -0.358837 0.155074 -1.508539
H 0.360296 0.175771 1.513541
H 1.619982 1.449123 1.457383
H 2.313251 4.162236 -1.195556
H 1.259370 4.350926 0.229609
H 2.549728 3.113509 0.223385
H -2.346731 4.155643 1.152902
H -2.567784 3.093644 -0.258765
H -1.288293 4.342213 -0.269154
H -4.088582 -1.314092 2.307125
H -2.384341 -0.803747 2.066302
H -2.778702 -2.541314 2.275342
H -3.917660 -3.738059 0.244678
H -4.220780 -2.715071 -1.204162
H -5.242219 -2.522978 0.264699
H 4.104652 -1.311064 -2.281134
H 2.400472 -0.793823 -2.055287
H 2.789805 -2.533163 -2.259532
H 3.908631 -3.731907 -0.218600
H 4.202341 -2.708873 1.232165
H 5.236919 -2.520793 -0.228008


