%chk=000124675.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124675

0 1
 O    2.097900     -0.1727000      -1.930300    
 O    5.643000       2.044600      -1.575100    
 O   -2.058900     -0.3114000      0.2145000    
 O  -0.5758000     -0.5633000       1.949900    
 N    2.924000      0.5110000      0.1207000    
 N   3.3500001E-02  -1.007000     -0.2455000    
 C    3.594700       1.711200     -0.3617000    
 C    3.898400       2.517200      0.8960000    
 C    3.030100      0.3959000       1.573000    
 C    4.053500       1.447500       1.974200    
 C    1.396100      -1.397700     -1.3100000E-02
 C    2.163000     -0.3002000     -0.7064000    
 C    1.735500      -2.778200     -0.5846000    
 C    4.847900       1.268700      -1.055300    
 C   0.9267000      -3.874400      0.1179000    
 C    3.230100      -3.086700     -0.4435000    
 C  -0.8422000     -0.6215000      0.7541000    
 C   -3.065700      0.1061000       1.143300    
 C   -4.330100      0.4061000      0.3931000    
 C   -4.565400       1.693300     -9.0400003E-02
 C   -5.270000     -0.6020000      0.1786000    
 C   -5.740600       1.972300     -0.7880000    
 C   -6.445100     -0.3230000     -0.5191000    
 C   -6.680400      0.9642000      -1.002500    
 H    2.961900       2.240900      -1.080400    
 H    4.785100       3.152800      0.8142000    
 H    3.040500       3.155000       1.142000    
 H    3.348700     -0.6086000       1.865600    
 H    2.049500      0.6162000       2.007700    
 H    3.888400       1.832100       2.984500    
 H    5.063900       1.023100       1.932000    
 H    1.561900      -1.426700       1.063600    
 H    1.483900      -2.810100      -1.653200    
 H    5.053000      0.1839000      -1.077900    
 H  -0.3087000     -0.9894000      -1.202200    
 H    1.177400      -4.861000     -0.2868000    
 H  -0.1487000      -3.726400     -2.4200000E-02
 H    1.128700      -3.890200       1.194400    
 H    3.455300      -4.090800     -0.8193000    
 H    3.841600      -2.382300      -1.016100    
 H    3.547800      -3.040400      0.6038000    
 H   -3.241900     -0.6878000       1.879800    
 H   -2.724600      0.9988000       1.682400    
 H   -3.839800       2.486600      6.8400003E-02
 H   -5.097100      -1.609200      0.5483000    
 H   -5.923600       2.974300      -1.164900    
 H   -7.176700      -1.108000     -0.6867000    
 H   -7.595200       1.181300      -1.546000    


%chk=000124675-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124675

0 1
O 2.296294 -0.113446 -1.927840
O 6.201360 1.771352 -0.569985
O -2.048659 -0.211850 0.108968
O -0.401700 -0.213277 1.801397
N 3.009350 0.434677 0.211769
N -0.008809 -1.113675 -0.335387
C 3.750211 1.632800 -0.279440
C 3.834111 2.554009 0.953016
C 2.981831 0.377702 1.709019
C 3.895699 1.553991 2.139015
C 1.400286 -1.470563 -0.094732
C 2.283475 -0.335749 -0.669881
C 1.762353 -2.832400 -0.756035
C 5.122132 1.186126 -0.817007
C 0.859237 -3.965871 -0.221011
C 3.256176 -3.162599 -0.526409
C -0.771364 -0.490923 0.624954
C -2.970812 0.489196 1.065186
C -4.325641 0.572584 0.407189
C -4.668365 1.689678 -0.395316
C -5.274284 -0.466782 0.579854
C -5.933925 1.766505 -1.018133
C -6.540906 -0.393910 -0.041100
C -6.873272 0.723837 -0.841962
H 3.194289 2.064518 -1.136399
H 4.725061 3.200973 0.903727
H 2.931419 3.186551 1.016368
H 3.366213 -0.591606 2.074530
H 1.942796 0.499390 2.066407
H 3.559394 1.999404 3.089470
H 4.934684 1.204078 2.274916
H 1.520712 -1.553953 0.998130
H 1.602494 -2.716553 -1.847946
H 5.082115 0.274580 -1.461188
H -0.369330 -1.157940 -1.290654
H 1.078679 -4.912730 -0.747215
H -0.211966 -3.736945 -0.359130
H 1.033249 -4.131933 0.859629
H 3.505720 -4.135561 -0.986189
H 3.918785 -2.401337 -0.975241
H 3.486494 -3.235342 0.554641
H -2.990552 -0.088203 2.006061
H -2.544845 1.486499 1.276224
H -3.939997 2.497600 -0.535332
H -5.017300 -1.334558 1.199369
H -6.187914 2.634934 -1.635922
H -7.266897 -1.202205 0.100384
H -7.856581 0.783027 -1.321968


