%chk=000126697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126697

0 1
 O   0.3226000     -0.1417000      0.4305000    
 O   -3.131500      0.3624000     -0.4017000    
 O  -0.7721000      0.1410000      -1.575800    
 N    3.964600     -0.6021000      9.7700000E-02
 C    4.478500      0.7156000     -0.3019000    
 C    4.918600      -1.302500      0.9690000    
 C    5.810200      0.5869000      -1.042700    
 C    6.264700      -1.497300      0.2694000    
 C    6.838500     -0.1683000     -0.2084000    
 C    2.669100     -0.4656000      0.7629000    
 C   -2.047900      0.1529000      0.5039000    
 C    1.562000     -0.2515000     -0.2570000    
 C   -2.291900      -1.128000       1.335800    
 C   -1.935400       1.423600       1.384500    
 C  -0.7833000      5.5599999E-02 -0.3536000    
 C   -2.466000      -2.402100      0.5365000    
 C   -1.805000       2.726800      0.6289000    
 C   -3.737400      -2.794500      0.1177000    
 C  -0.5423000       3.213600      0.2907000    
 C   -1.355000      -3.183500      0.2184000    
 C   -2.947500       3.442100      0.2694000    
 C   -3.897900      -3.968100     -0.6188000    
 C  -0.4218000       4.415700     -0.4065000    
 C   -1.515600      -4.357100     -0.5182000    
 C   -2.826900       4.644200     -0.4278000    
 C   -2.787100      -4.749300     -0.9368000    
 C   -1.564100       5.130900     -0.7658000    
 H    3.781600       1.222200     -0.9774000    
 H    4.610500       1.365200      0.5738000    
 H    5.065900     -0.7520000       1.907600    
 H    4.528500      -2.293900       1.229600    
 H    6.194900       1.583100      -1.288900    
 H    5.652800      6.0899999E-02  -1.993100    
 H    6.139100      -2.170500     -0.5882000    
 H    6.971300      -1.980200      0.9539000    
 H    7.747200     -0.3400000     -0.7958000    
 H    7.124500      0.4399000      0.6586000    
 H    2.420500      -1.383600       1.313200    
 H    2.668500      0.3331000       1.516500    
 H    1.516900      -1.101300     -0.9493000    
 H    1.718200      0.6666000     -0.8323000    
 H   -3.197400     -0.9896000       1.942600    
 H   -1.476000      -1.272200       2.056500    
 H   -2.832100       1.495200       2.016000    
 H   -1.095800       1.331100       2.086500    
 H   -3.159800     -0.3805000      -1.027500    
 H   -4.611100      -2.194700      0.3582000    
 H   0.3579000       2.674900      0.5723000    
 H  -0.3592000      -2.894800      0.5429000    
 H   -3.937400       3.074500      0.5264000    
 H   -4.887800      -4.273500     -0.9450000    
 H   0.5614000       4.795900     -0.6676000    
 H  -0.6507000      -4.966200     -0.7646000    
 H   -3.716200       5.201400     -0.7077000    
 H   -2.912000      -5.663200      -1.510100    
 H   -1.470300       6.067200      -1.308200    


%chk=000126697-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126697

0 1
O 0.148206 -0.314033 0.442467
O -3.369058 0.344003 -0.352264
O -0.992033 -0.010900 -1.566579
N 3.879350 -0.462334 0.089106
C 4.314867 0.766766 -0.627139
C 4.920320 -0.932513 1.041581
C 5.622093 0.522521 -1.407398
C 6.245889 -1.229253 0.312467
C 6.735558 0.014877 -0.462993
C 2.552735 -0.311393 0.728589
C -2.243331 0.100786 0.550792
C 1.434096 -0.489797 -0.304922
C -2.534354 -1.189912 1.385234
C -2.083935 1.326931 1.511061
C -0.980587 -0.080150 -0.313363
C -2.582379 -2.470246 0.566711
C -1.695794 2.622557 0.817079
C -3.695703 -2.764807 -0.263426
C -0.372065 3.124713 0.915417
C -1.505807 -3.393447 0.612661
C -2.643625 3.350669 0.050926
C -3.729631 -3.953016 -1.026644
C -0.001460 4.324941 0.267053
C -1.538286 -4.584264 -0.148174
C -2.275210 4.548878 -0.600139
C -2.651876 -4.867762 -0.971686
C -0.953098 5.041189 -0.494703
H 3.516363 1.079858 -1.323903
H 4.470588 1.610738 0.097471
H 5.107380 -0.170083 1.844237
H 4.548059 -1.848587 1.537087
H 5.930521 1.461085 -1.906606
H 5.431547 -0.230360 -2.196188
H 6.083251 -2.065978 -0.394116
H 7.004355 -1.554841 1.050143
H 7.652454 -0.220526 -1.035391
H 6.999927 0.816806 0.257433
H 2.441701 -1.091322 1.504013
H 2.428776 0.676832 1.238212
H 1.447527 -1.501626 -0.744150
H 1.469164 0.255030 -1.117935
H -3.506987 -1.009226 1.880820
H -1.761983 -1.270574 2.171206
H -3.061674 1.435815 2.017492
H -1.331116 1.065380 2.276012
H -3.012735 0.345018 -1.284520
H -4.527032 -2.053553 -0.308526
H 0.368174 2.573570 1.509543
H -0.641298 -3.177672 1.253164
H -3.665246 2.965691 -0.032828
H -4.596399 -4.167040 -1.662526
H 1.023585 4.702463 0.359263
H -0.700661 -5.289427 -0.096532
H -3.018461 5.100069 -1.187643
H -2.681138 -5.791173 -1.561237
H -0.669524 5.973329 -0.996507


