%chk=000227311.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227311

0 1
 O    4.224300       2.018200       1.200800    
 O    4.192100      -1.675900       1.472200    
 O    7.722400     -0.3957000      0.6590000    
 N    5.837600      6.8800002E-02 -0.1825000    
 N    2.807500       1.566300     -0.5783000    
 N    2.875000      -1.575000     -0.4336000    
 N    7.150800      0.1184000     -0.3099000    
 N    1.705800       1.943100      0.1110000    
 N    1.739100      -1.843100      0.2511000    
 C    5.173600       1.182300     -0.8437000    
 C    5.249500      -1.203900     -0.6347000    
 C    4.038200       1.635400      4.6599999E-02
 C    4.068800      -1.508900      0.2596000    
 C   -3.166700       2.390400     -0.2767000    
 C   -3.096300      -2.464300     -0.3183000    
 C   -3.362900       3.229500      0.8202000    
 C   -3.340400      -3.116400      0.8905000    
 C   -4.264500       1.849000     -0.9459000    
 C   -4.163200      -2.072100      -1.126900    
 C   -1.799900       2.075700     -0.7283000    
 C   -1.711600      -2.189800     -0.7408000    
 C   -4.656700       3.527200       1.248000    
 C   -4.651100      -3.376500       1.290500    
 C   -5.558300       2.147000     -0.5181000    
 C   -5.473900      -2.332100     -0.7268000    
 C   -5.754400       2.986100      0.5788000    
 C   -5.717800      -2.984300      0.4819000    
 C  -0.6995000       2.205800      2.4300000E-02
 C  -0.6548000      -2.162800      8.1699997E-02
 C   0.6072000       1.840600     -0.5628000    
 C   0.6798000      -1.882900     -0.4890000    
 H    4.842500      0.9600000      -1.865600    
 H    5.828000       2.063300     -0.9282000    
 H    5.941000      -2.046700     -0.4883000    
 H    4.987400      -1.209600      -1.699700    
 H    2.689800       1.239600      -1.532400    
 H    2.809300      -1.426100      -1.435900    
 H   -2.539000       3.688000       1.359100    
 H   -2.540700      -3.456100       1.542200    
 H   -4.130500       1.194100      -1.803200    
 H   -3.991800      -1.561900      -2.071600    
 H   -1.721200       1.699300      -1.746000    
 H   -1.579600      -1.993000      -1.802500    
 H   -4.810200       4.183800       2.099400    
 H   -4.841700      -3.888000       2.229500    
 H   -6.413000       1.725200      -1.038900    
 H   -6.304700      -2.025800      -1.355800    
 H   -6.761800       3.218600      0.9113000    
 H   -6.738400      -3.187300      0.7930000    
 H  -0.6969000       2.548400       1.051400    
 H  -0.7070000      -2.324400       1.151100    
 H   0.5878000       1.475500      -1.606500    
 H   0.7166000      -1.709200      -1.580500    


%chk=000227311-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227311

0 1
O 4.807041 3.965316 -0.455121
O 1.641273 0.107712 -0.193599
O 4.414103 -1.745641 0.643140
N 4.554485 0.245593 -0.359117
N 2.944927 2.606751 0.059814
N 1.856768 -1.941793 -1.314759
N 4.927498 -0.565347 0.704307
N 2.079857 3.688573 0.235017
N 0.562682 -2.358254 -1.024846
C 5.170780 1.581247 -0.409526
C 3.709934 -0.319943 -1.431604
C 4.269296 2.840578 -0.273970
C 2.311573 -0.704284 -0.896391
C -2.511921 5.169691 1.278056
C -2.749593 -6.018711 -1.269550
C -2.298174 6.577344 1.175360
C -3.849611 -5.342473 -0.661285
C -3.820422 4.714495 1.616502
C -2.942566 -7.363120 -1.703985
C -1.454625 4.176883 1.051861
C -1.436379 -5.396510 -1.468001
C -3.350606 7.484356 1.403235
C -5.088848 -5.989507 -0.497886
C -4.874000 5.623221 1.845219
C -4.184139 -8.010344 -1.540276
C -4.644720 7.014717 1.739650
C -5.264119 -7.325866 -0.936087
C -0.138807 4.425199 0.735967
C -1.064900 -4.116349 -1.125638
C 0.826265 3.366788 0.532794
C 0.263185 -3.602309 -1.370116
H 5.737218 1.708825 -1.350477
H 5.898939 1.614975 0.420091
H 4.223252 -1.193667 -1.877291
H 3.586361 0.459985 -2.202295
H 2.566012 1.631802 0.120044
H 2.538241 -2.591767 -1.736915
H -1.305799 6.961737 0.915749
H -3.734502 -4.309703 -0.314902
H -4.003389 3.635703 1.699831
H -2.107004 -7.897920 -2.172843
H -1.763992 3.124841 1.150907
H -0.678234 -6.037735 -1.944615
H -3.166675 8.561461 1.319711
H -5.922899 -5.456357 -0.028449
H -5.870729 5.249460 2.104990
H -4.311092 -9.043598 -1.881071
H -5.460223 7.724652 1.916423
H -6.230537 -7.825071 -0.806612
H 0.246326 5.445919 0.623999
H -1.763603 -3.420070 -0.648048
H 0.482547 2.319875 0.631620
H 0.999146 -4.283561 -1.847209


