%chk=000045310.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045310

0 1
 O   -1.475600       1.363000      -1.949700    
 O    5.801700     -0.3950000     -0.5817000    
 O  -9.7000003E-02 -0.4269000      -2.405000    
 N    3.351800      0.4364000      0.6052000    
 C  -0.9003000     -0.1068000     -0.1017000    
 C   0.4581000     -1.2700000E-02  0.5864000    
 C    1.090500       1.362100      0.3812000    
 C   -1.825600      0.9846000      0.3162000    
 C    2.434200       1.459600       1.101700    
 C   -1.496300      -1.466200      7.1400002E-02
 C  -0.7567000      0.2194000      -1.601400    
 C   -2.101600       1.774000     -0.7864000    
 C    3.612600      0.6209000     -0.8291000    
 C    4.616100      0.4617000       1.354100    
 C   -2.379500       1.276400       1.551800    
 C    4.581200     -0.4507000      -1.321200    
 C    5.561800     -0.6055000      0.8103000    
 C   -2.666000      -1.803500     -0.6067000    
 C  -0.8809000      -2.392700      0.9108000    
 C   -2.934300       2.875000     -0.7106000    
 C   -3.225100       2.383900       1.653000    
 C   -3.501100       3.178200      0.5283000    
 C   -3.222500      -3.072300     -0.4447000    
 C   -1.437300      -3.661500       1.072800    
 C   -2.608200      -4.001200      0.3949000    
 H   0.3678000     -0.1602000       1.671400    
 H    1.134800     -0.7790000      0.1869000    
 H    1.181100       1.637300     -0.6732000    
 H   0.4561000       2.138000      0.8273000    
 H    2.847900       2.467700      0.9690000    
 H    2.268000       1.319900       2.177400    
 H    4.039800       1.614500      -1.016500    
 H    2.709200      0.5146000      -1.435300    
 H    4.433100      0.2655000       2.416700    
 H    5.090300       1.447900       1.266500    
 H   -2.166700      0.6658000       2.422600    
 H    4.149100      -1.455700      -1.239600    
 H    4.823700     -0.2793000      -2.374900    
 H    6.525400     -0.5475000       1.326500    
 H    5.163200      -1.615700      0.9644000    
 H   -3.167600      -1.100400      -1.265900    
 H   2.5000000E-02  -2.205700       1.474600    
 H   -3.144000       3.486400      -1.581100    
 H   -3.673500       2.634600       2.610500    
 H   -4.160600       4.036200      0.6253000    
 H   -4.134500      -3.336900     -0.9719000    
 H  -0.9606000      -4.385600       1.727300    
 H   -3.041700      -4.989000      0.5213000    


%chk=000045310-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045310

0 1
O -1.413956 1.236354 -2.097692
O 5.803712 -0.639486 -0.484978
O 0.274047 -0.362450 -2.273637
N 3.381997 0.476255 0.684646
C -0.913084 -0.033746 -0.059669
C 0.398837 0.142821 0.778002
C 1.078555 1.519586 0.625901
C -1.928093 1.070421 0.193774
C 2.496727 1.529430 1.241146
C -1.467946 -1.473774 0.106799
C -0.574831 0.191684 -1.566723
C -2.183355 1.753368 -1.013566
C 3.708014 0.677782 -0.752938
C 4.629039 0.322511 1.478008
C -2.572775 1.500712 1.367302
C 4.564851 -0.489425 -1.268008
C 5.463619 -0.846989 0.931524
C -2.780764 -1.724260 0.576851
C -0.639285 -2.578641 -0.225076
C -3.067862 2.831945 -1.127818
C -3.472983 2.594434 1.293716
C -3.720998 3.246177 0.060203
C -3.247831 -3.049697 0.734003
C -1.107630 -3.900128 -0.071211
C -2.413308 -4.143195 0.415235
H 0.146892 -0.043748 1.840336
H 1.122535 -0.635342 0.478965
H 1.138398 1.801438 -0.443779
H 0.480231 2.309376 1.118842
H 2.940068 2.550579 1.111209
H 2.418602 1.348965 2.332003
H 4.257494 1.640631 -0.910045
H 2.776346 0.710926 -1.345482
H 4.360207 0.122313 2.533251
H 5.250540 1.253854 1.451700
H -2.383467 1.002054 2.324374
H 3.974563 -1.429864 -1.218781
H 4.890684 -0.312656 -2.305943
H 6.428449 -0.928436 1.459366
H 4.893387 -1.794662 1.045116
H -3.447223 -0.889526 0.812922
H 0.362422 -2.405720 -0.631897
H -3.235766 3.329825 -2.086553
H -3.982951 2.939002 2.199456
H -4.422125 4.086664 0.021429
H -4.266057 -3.224216 1.099629
H -0.455856 -4.739648 -0.337371
H -2.776767 -5.169897 0.534661


