%chk=000160433.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160433

0 1
 O    2.229800      0.5636000     -0.7673000    
 O    1.772500     -0.3594000       2.073900    
 O    4.089300      -1.660000       1.361100    
 O    4.724500       1.378400      -1.775500    
 N  -8.1000002E-03  0.5106000      5.8899999E-02
 N   -1.210200       2.243600      0.7824000    
 C    1.167000     -0.2840000     -0.2773000    
 C    1.757000      -1.110400      0.8633000    
 C    3.172200      -1.295700      0.3520000    
 C    3.474200      8.1799999E-02 -0.2238000    
 C    4.532000      5.9099998E-02  -1.312700    
 C   -1.325000      0.1373000     -8.0200002E-02
 C   2.6000000E-03   1.779500      0.5793000    
 C   -2.051700       1.233200      0.3770000    
 C   -1.919300      -1.032800     -0.5537000    
 C   -3.317500      -1.072700     -0.5552000    
 C   -3.455600       1.175800      0.3684000    
 C   -4.074000      1.1000000E-02 -0.1028000    
 C   -3.991400      -2.310700      -1.056500    
 C   -5.568300     -4.8099998E-02 -0.1113000    
 H   0.8951000     -0.9325000      -1.118800    
 H    1.218600      -2.045200       1.044000    
 H    3.186500      -2.061400     -0.4330000    
 H    3.777200      0.7912000      0.5569000    
 H    4.219800     -0.5537000      -2.164600    
 H    5.484800     -0.3216000     -0.9334000    
 H   0.9191000       2.312600      0.7929000    
 H    2.146600     -0.9323000       2.764800    
 H    4.119300     -0.9452000       2.019100    
 H   -1.322400      -1.869300     -0.9002000    
 H   -4.036400       2.022300      0.7217000    
 H    3.870100       1.702900      -2.108000    
 H   -4.619700      -2.084000      -1.924000    
 H   -3.265400      -3.067400      -1.374200    
 H   -4.603500      -2.762800     -0.2694000    
 H   -5.943500     -0.1862000      -1.130500    
 H   -5.926100     -0.8648000      0.5240000    
 H   -6.013000      0.8768000      0.2727000    


%chk=000160433-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160433

0 1
O 2.219876 0.258050 -0.996400
O 1.935380 -0.441792 2.124274
O 4.363744 -1.368580 1.555173
O 4.626451 1.492417 -2.043692
N 0.081267 0.285999 0.113400
N -1.055982 2.112685 0.911710
C 1.206443 -0.549322 -0.290681
C 1.946061 -1.241320 0.899033
C 3.433176 -1.227770 0.455965
C 3.538921 0.123718 -0.295572
C 4.624068 0.195683 -1.364320
C -1.291302 -0.007897 -0.053739
C 0.148658 1.573446 0.689875
C -1.981105 1.137247 0.457844
C -1.980868 -1.122975 -0.570698
C -3.394219 -1.084949 -0.586682
C -3.392601 1.164717 0.445923
C -4.103802 0.062404 -0.075101
C -4.166592 -2.266344 -1.147420
C -5.623012 0.087567 -0.099425
H 0.818299 -1.308501 -0.994855
H 1.550714 -2.257205 1.085939
H 3.636655 -2.067470 -0.232180
H 3.645800 0.957838 0.425931
H 4.485317 -0.637678 -2.086943
H 5.616326 0.104339 -0.892096
H 1.101136 2.060430 0.881788
H 1.012411 -0.310498 2.455782
H 3.985170 -0.858428 2.321741
H -1.459447 -2.004753 -0.960676
H -3.921833 2.039729 0.836605
H 3.719485 1.640026 -2.417151
H -4.803050 -1.967435 -2.002392
H -3.487271 -3.062337 -1.497281
H -4.842470 -2.708634 -0.390251
H -6.016435 0.011427 -1.131541
H -6.057623 -0.756880 0.469555
H -6.010647 1.022546 0.338559


