%chk=000140082.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000140082

0 1
 O  -5.6800000E-02  -1.580700      0.6416000    
 O   -3.387500      0.2051000      -2.328400    
 N    3.311900     -0.3529000     -0.2059000    
 C   -1.362300      -1.011600      0.6203000    
 C   -1.682400     -0.5184000     -0.7929000    
 C   -3.129000     -2.5300000E-02 -0.9426000    
 C   -2.360800      -2.071700       1.078800    
 C   -4.124600      -1.079400     -0.4313000    
 C   -3.799400      -1.577100      0.9775000    
 C    3.360200      0.8227000      0.6748000    
 C    4.624200      -1.009300     -0.2882000    
 C    2.295500      -1.297300      0.2571000    
 C    4.384400       1.843400      0.1766000    
 C    5.689700     -4.8300002E-02 -0.8181000    
 C    5.766100       1.216400      2.9400000E-02
 C   0.9247000     -0.6433000      0.2241000    
 C   -3.318500       1.256300     -0.2388000    
 C   -3.473400       2.300200      0.3341000    
 C   -3.662100       3.571300       1.031800    
 H   -1.389700     -0.1752000       1.330800    
 H   -1.034000      0.3122000      -1.093900    
 H   -1.481600      -1.317100      -1.520900    
 H   -2.137500      -2.369200       2.110600    
 H   -2.236700      -2.980900      0.4760000    
 H   -4.125600      -1.935000      -1.120500    
 H   -5.148900     -0.6850000     -0.4558000    
 H   -4.485400      -2.388900       1.245100    
 H   -3.963800     -0.7736000       1.705400    
 H    3.597000      0.5329000       1.706900    
 H    2.413300       1.367600      0.6913000    
 H    4.569000      -1.866100     -0.9707000    
 H    4.931000      -1.393500      0.6935000    
 H    2.509800      -1.667800       1.268400    
 H    2.272300      -2.181900     -0.3926000    
 H    4.435700       2.688000      0.8732000    
 H    4.061700       2.246800     -0.7918000    
 H    5.457900      0.2209000      -1.856500    
 H    6.665700     -0.5464000     -0.8275000    
 H    6.458400       1.933200     -0.4256000    
 H    6.163400      0.9689000       1.021400    
 H   0.7674000     -0.3243000     -0.8089000    
 H   0.8480000      0.2145000      0.8960000    
 H   -2.709600      0.8144000      -2.668200    
 H   -4.563400       3.544900       1.651600    
 H   -2.809200       3.788400       1.682000    
 H   -3.764100       4.395100      0.3191000    


%chk=000140082-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000140082

0 1
O -0.049680 -1.475896 0.260235
O -3.985876 0.121611 -2.336056
N 3.475725 -0.261948 -0.085126
C -1.420873 -0.943324 0.353446
C -1.962677 -0.496921 -1.025566
C -3.454527 -0.055721 -0.954355
C -2.283373 -2.069305 0.945380
C -4.310034 -1.197736 -0.351700
C -3.771162 -1.651199 1.023476
C 3.643849 0.964322 0.739093
C 4.733153 -1.054241 -0.126678
C 2.321814 -1.086747 0.348238
C 4.775908 1.857147 0.191493
C 5.897663 -0.225559 -0.705048
C 6.103849 1.071228 0.110802
C 0.972798 -0.465606 -0.046600
C -3.599676 1.207491 -0.191250
C -3.721856 2.271135 0.425088
C -3.880295 3.536731 1.157883
H -1.417296 -0.067362 1.043193
H -1.350777 0.332194 -1.430442
H -1.897651 -1.349116 -1.729129
H -1.895673 -2.336339 1.945195
H -2.172035 -2.963448 0.300696
H -4.279196 -2.036462 -1.073717
H -5.358624 -0.860315 -0.276766
H -4.378236 -2.497712 1.394935
H -3.890438 -0.827256 1.754908
H 3.870437 0.696464 1.807143
H 2.693244 1.527923 0.739416
H 4.556900 -1.948868 -0.752582
H 5.017383 -1.415011 0.898730
H 2.324339 -1.282595 1.449667
H 2.386389 -2.069710 -0.154046
H 4.886399 2.747782 0.839992
H 4.493699 2.209617 -0.819516
H 5.662706 0.032286 -1.755930
H 6.819557 -0.838735 -0.706842
H 6.898202 1.694212 -0.342136
H 6.440299 0.810704 1.136000
H 0.985422 -0.218068 -1.127727
H 0.760129 0.464363 0.525922
H -3.563813 0.930210 -2.727259
H -4.660374 3.451651 1.936556
H -2.938471 3.836097 1.653529
H -4.176251 4.355033 0.475755


