%chk=000145949.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000145949

0 1
 O   0.6104000       2.238900     -0.7260000    
 O   0.4507000      -2.423600     -0.6023000    
 O    6.688400     -5.5399999E-02  0.2371000    
 O    5.100400      0.2415000       1.832000    
 N   0.5740000     -9.7099997E-02 -0.7409000    
 C   -2.119300      1.7600000E-02  2.4800001E-02
 C    1.960300     -0.1582000      -1.191800    
 C   -1.421000       1.214700     -0.1862000    
 C   -1.506900      -1.235100     -0.1188000    
 C    2.962600     -5.9599999E-02 -4.2700000E-02
 C   6.3000000E-03   1.179100     -0.5759000    
 C  -8.2099997E-02  -1.319900     -0.5077000    
 C   -3.485800      7.5499997E-02  0.3976000    
 C   -2.059300       2.452000     -3.2499999E-02
 C   -2.229200      -2.414600      0.1014000    
 C    4.427200     -7.8299999E-02 -0.4877000    
 C   -4.111000       1.322700      0.5466000    
 C   -4.196000      -1.115000      0.6137000    
 C   -3.401300       2.502200      0.3329000    
 C   -3.570800      -2.351100      0.4663000    
 C    5.402400      6.3699998E-02  0.6603000    
 H    2.127500      -1.090500      -1.743700    
 H    2.136900      0.6628000      -1.897400    
 H    2.789000     -0.8832000      0.6621000    
 H    2.773700      0.8597000      0.5266000    
 H   -1.529200       3.386700     -0.1936000    
 H   -1.765400      -3.391300     -7.4000000E-03
 H    4.609000      0.7467000      -1.185400    
 H    4.637100      -1.025300     -0.9974000    
 H   -5.159000       1.386700      0.8319000    
 H   -5.245400      -1.090100      0.9001000    
 H   -3.896100       3.461800      0.4516000    
 H   -4.131100      -3.265900      0.6365000    
 H    7.325700      2.5100000E-02  0.9785000    


%chk=000145949-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000145949

0 1
O 0.648268 2.269585 -0.899734
O 0.554728 -2.395478 -0.695440
O 6.721963 -0.058841 0.236392
O 5.125029 0.021236 1.919614
N 0.575509 -0.062765 -0.809491
C -2.151910 0.027922 0.015688
C 2.004719 -0.107428 -1.219522
C -1.448731 1.248454 -0.239686
C -1.499798 -1.237510 -0.134910
C 2.950050 -0.053305 0.000134
C -0.023843 1.220727 -0.665930
C -0.074703 -1.304227 -0.556550
C -3.533596 0.074175 0.431015
C -2.098526 2.482786 -0.085376
C -2.200328 -2.426834 0.119361
C 4.419096 -0.087742 -0.457564
C -4.167947 1.350901 0.577984
C -4.220451 -1.158622 0.681124
C -3.461739 2.532894 0.324144
C -3.564357 -2.385866 0.527193
C 5.395534 -0.035469 0.700966
H 2.152916 -1.046380 -1.778498
H 2.181174 0.758972 -1.878691
H 2.745800 -0.908661 0.667913
H 2.760703 0.869154 0.576686
H -1.532060 3.397878 -0.286457
H -1.672620 -3.378310 -0.002938
H 4.649860 0.760863 -1.131249
H 4.637250 -1.003855 -1.041089
H -5.217093 1.389207 0.893737
H -5.270052 -1.127697 0.996285
H -3.954926 3.503169 0.440242
H -4.097631 -3.321908 0.721163
H 7.340413 -0.023826 1.016084


