%chk=000086131.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086131

0 1
 O   -1.235100       1.621800     -0.3461000    
 O   -3.848200       1.970000     -0.9332000    
 N    2.020300      8.5900001E-02  0.6185000    
 C   0.6658000      0.1341000      8.0300003E-02
 C  -0.2216000     -0.8931000      0.7829000    
 C   5.5000000E-02   1.520000      0.2699000    
 C    2.875700       1.067600     -5.0400000E-02
 C    2.583200      -1.258100      0.4772000    
 C   -1.666100     -0.6497000      0.4437000    
 C   -2.086300      0.5795000     -8.1799999E-02
 C    4.282400       1.035600      0.5418000    
 C    2.600700      -1.673400     -0.9917000    
 C   -2.616700      -1.651600      0.6803000    
 C   -3.430600      0.7860000     -0.4024000    
 C    5.186300       2.062800     -0.1221000    
 C    3.161900      -3.076500      -1.163900    
 C   -3.960600      -1.438600      0.3709000    
 C   -4.366100     -0.2221000     -0.1738000    
 H   0.6307000     -4.4700000E-02  -1.002000    
 H  -0.1131000     -0.8309000       1.873700    
 H   2.1900000E-02  -1.913000      0.4653000    
 H  -3.6699999E-02   1.790200       1.330200    
 H   0.6291000       2.309300     -0.2186000    
 H    2.896200      0.9715000      -1.141600    
 H    2.525600       2.082800      0.1594000    
 H    3.576000      -1.351800      0.9263000    
 H    2.011800      -1.984400       1.066800    
 H    4.251000       1.223200       1.621800    
 H    4.783200      7.7000000E-02  0.3833000    
 H    1.605300      -1.703900      -1.441900    
 H    3.223500      -1.012800      -1.601900    
 H   -2.314100      -2.606500       1.102700    
 H    4.798000       3.076700      1.8100001E-02
 H    6.190300       2.022700      0.3121000    
 H    5.273700       1.873700      -1.197000    
 H    4.189200      -3.136400     -0.7903000    
 H    2.555900      -3.810800     -0.6233000    
 H    3.169800      -3.357100      -2.222100    
 H   -4.689900      -2.222600      0.5529000    
 H   -5.415400     -7.2099999E-02 -0.4137000    
 H   -4.807600       1.928300      -1.087600    


%chk=000086131-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086131

0 1
O -1.299806 1.784687 0.186941
O -3.906829 2.332696 -0.198626
N 2.068341 0.058512 0.382131
C 0.633370 0.200163 0.001657
C -0.259119 -0.977106 0.453591
C 0.055413 1.463550 0.687816
C 2.947219 1.018844 -0.341095
C 2.618343 -1.321380 0.436529
C -1.739186 -0.656669 0.253860
C -2.173717 0.687843 0.131626
C 4.284521 1.297509 0.378222
C 2.819799 -2.063349 -0.917560
C -2.697426 -1.698710 0.176182
C -3.552179 0.978473 -0.076580
C 5.095418 2.404293 -0.330759
C 3.330143 -3.503973 -0.697318
C -4.063223 -1.414477 -0.018486
C -4.490894 -0.072380 -0.148190
H 0.507109 0.328523 -1.102580
H -0.061848 -1.178097 1.526710
H -0.015161 -1.901943 -0.099408
H 0.014915 1.299042 1.782782
H 0.637969 2.372203 0.477385
H 3.155940 0.686611 -1.388410
H 2.406878 1.978777 -0.432701
H 3.592058 -1.275311 0.960821
H 1.965610 -1.935087 1.082563
H 4.064852 1.589450 1.422889
H 4.896207 0.375707 0.426352
H 1.864662 -2.087328 -1.479416
H 3.542468 -1.511442 -1.549457
H -2.359507 -2.738108 0.264406
H 4.538977 3.360499 -0.344943
H 6.058806 2.583149 0.179913
H 5.316066 2.129391 -1.379834
H 4.294289 -3.505507 -0.153823
H 2.610074 -4.095972 -0.100621
H 3.484660 -4.029961 -1.656833
H -4.795009 -2.226628 -0.075377
H -5.553160 0.158116 -0.304052
H -4.882641 2.413989 -0.343608


