%chk=000068860.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068860

0 1
 O    2.520500      -2.955900      0.7147000    
 O    1.246200      -5.452900      0.9154000    
 O   -4.316300       2.874900      0.9514000    
 O   -6.882600       1.918400      0.4768000    
 N  -0.7401000      -2.759200     -0.6674000    
 N    5.343900       5.476800     -0.5874000    
 C  -0.2841000      -3.693000      0.3533000    
 C   0.9084000      -4.526900     -0.1213000    
 C   -1.909100      -2.019400     -0.2114000    
 C   -2.382300      -1.031200      -1.278100    
 C    2.141200      -3.686600     -0.4475000    
 C   -3.579200     -0.2424000     -0.8097000    
 C   -3.398400      0.9661000     -0.1372000    
 C   -4.867200     -0.7221000      -1.048100    
 C   -4.505600       1.695200      0.2967000    
 C   -5.974300      6.8999999E-03 -0.6141000    
 C   -5.793500       1.215500      5.8300000E-02
 C    3.144100      -1.754300      0.5096000    
 C    3.925500      -1.559500     -0.6293000    
 C    2.997900     -0.7249000       1.439600    
 C    4.414800      0.6939000      9.1799997E-02
 C    4.560900     -0.3355000     -0.8382000    
 C    3.633200      0.4991000       1.230600    
 C    5.077300       1.970100     -0.1260000    
 C   -2.968400       3.294200       1.154900    
 C    6.596200       1.959300     -0.2141000    
 C   -8.163500       1.358600      0.1932000    
 C    4.351600       3.119100     -0.2297000    
 C    4.902900       4.415700     -0.4269000    
 H   -1.097600      -4.378100      0.6268000    
 H  -1.9800000E-02  -3.159300       1.275200    
 H   0.6331000      -5.114700      -1.005100    
 H   -1.664500      -1.470000      0.7067000    
 H   -2.724300      -2.713200      3.1099999E-02
 H   -2.637400      -1.563000      -2.204400    
 H   -1.571200     -0.3408000      -1.544900    
 H  -0.9648000      -3.265700      -1.523200    
 H    2.972100      -4.348600     -0.7184000    
 H    1.905300      -3.031500      -1.295200    
 H   -2.374200       1.286800      2.1400001E-02
 H   -5.019400      -1.663600      -1.569400    
 H   0.4684000      -6.015300       1.071300    
 H   -6.943700     -0.4268000     -0.8337000    
 H    4.088200      -2.343000      -1.363400    
 H    2.390700     -0.8717000       2.328700    
 H    5.165800     -0.2035000      -1.731900    
 H    3.510800       1.286300       1.970900    
 H    7.017500       1.383300      0.6176000    
 H    7.037500       2.958600     -0.1630000    
 H    6.921200       1.499400      -1.153200    
 H   -3.005600       4.249200       1.689300    
 H   -2.455900       3.482100      0.2052000    
 H   -2.419700       2.594200       1.794400    
 H   -8.343800       1.288500     -0.8849000    
 H   -8.306900      0.3999000      0.7034000    
 H   -8.912800       2.048000      0.5963000    
 H    3.267200       3.073400     -0.1628000    


%chk=000068860-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068860

0 1
O 1.601761 -2.763582 0.608157
O 2.038796 -5.668893 0.755232
O -2.037864 2.583878 -0.085257
O -4.647988 2.880382 0.235387
N -1.238071 -4.247983 -0.549013
N 3.761777 6.107608 1.380642
C -0.317889 -4.897299 0.404103
C 1.112730 -5.018358 -0.185958
C -1.873033 -2.981732 -0.123186
C -2.555075 -2.273733 -1.321009
C 1.724032 -3.670561 -0.551241
C -3.150556 -0.927108 -0.935608
C -2.294648 0.186550 -0.709884
C -4.538819 -0.753616 -0.766501
C -2.809088 1.440871 -0.322008
C -5.073423 0.499611 -0.375971
C -4.223639 1.602224 -0.149811
C 2.080295 -1.464178 0.472292
C 2.666083 -0.931759 -0.704790
C 1.958814 -0.642720 1.626170
C 2.974549 1.257764 0.415657
C 3.107254 0.407173 -0.716821
C 2.397916 0.686323 1.593941
C 3.432350 2.668079 0.363332
C -0.588002 2.461173 -0.253954
C 4.368564 3.085145 -0.756163
C -6.086894 3.076730 0.413855
C 3.007376 3.592109 1.298545
C 3.429422 4.955961 1.327687
H -0.665199 -5.918758 0.676414
H -0.254181 -4.316615 1.342397
H 1.052160 -5.603418 -1.131858
H -1.081844 -2.326225 0.283786
H -2.625672 -3.119201 0.690087
H -3.350192 -2.931953 -1.725357
H -1.796297 -2.159517 -2.119507
H -1.899371 -4.893162 -0.992998
H 2.792538 -3.804009 -0.807161
H 1.165636 -3.250612 -1.409654
H -1.214667 0.061652 -0.846463
H -5.217612 -1.596658 -0.941174
H 1.623733 -6.501585 1.096065
H -6.155456 0.606388 -0.253865
H 2.784447 -1.543683 -1.603160
H 1.532794 -1.078681 2.534739
H 3.553381 0.795535 -1.637877
H 2.323239 1.279171 2.511381
H 5.239653 2.408042 -0.819319
H 4.734326 4.113584 -0.610088
H 3.855210 3.051778 -1.736555
H -0.187733 3.458147 -0.018967
H -0.323552 2.189029 -1.294904
H -0.160181 1.711842 0.439790
H -6.640683 2.895704 -0.528706
H -6.489721 2.420638 1.210874
H -6.194720 4.130196 0.710802
H 2.289435 3.313214 2.078149


