%chk=000044182.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044182

0 1
 O  -0.5853000     -0.6414000     -7.4000001E-02
 O  -0.3282000      -1.202800      -2.293000    
 O    2.046800     -4.4199999E-02  -2.433100    
 N   -4.025900     -4.7699999E-02 -0.5293000    
 C   -2.537700      -1.117400       1.312900    
 C   -1.881800      -1.247300     -7.3799998E-02
 C   -3.905100      -1.811700       1.240100    
 C   -2.790600      0.3728000       1.600900    
 C   -2.768700     -0.5560000      -1.125000    
 C   -4.740000      -1.169800      0.1193000    
 C   -3.686900      0.9599000      0.4990000    
 C   9.0899996E-02 -0.6901000      -1.261600    
 C    1.457400     -1.9600000E-02  -1.130000    
 C    2.345700     -0.8233000     -0.1819000    
 C    1.296700       1.398100     -0.7466000    
 C    2.899400     -0.1850000      0.9056000    
 C    2.560700      -2.157300     -0.4483000    
 C    1.161700       2.551500     -0.4383000    
 C   0.9967000       3.963200     -5.1399998E-02
 C    3.710400     -0.9187000       1.771500    
 C    3.371600      -2.890800      0.4177000    
 C    3.946400      -2.271500       1.527600    
 C  -0.4751000       4.273000      0.2099000    
 C    1.840800       4.276200       1.181700    
 H   -1.903800      -1.549700       2.093900    
 H   -1.763900      -2.313000     -0.3121000    
 H   -4.428100      -1.715900       2.199100    
 H   -3.776400      -2.882800       1.044500    
 H   -1.842300      0.9210000       1.645400    
 H   -3.276200      0.4889000       2.577200    
 H   -2.270400      0.2853000      -1.621800    
 H   -3.022200      -1.268800      -1.920100    
 H   -5.001600      -1.925200     -0.6323000    
 H   -5.696500     -0.8152000      0.5233000    
 H   -4.607300       1.362900      0.9398000    
 H   -3.187800       1.816700      2.8999999E-02
 H    2.224100     -0.9631000      -2.693500    
 H    2.750100      0.8609000       1.144000    
 H    2.118500      -2.658500      -1.303400    
 H    1.342100       4.597700     -0.8766000    
 H    4.158200     -0.4374000       2.636100    
 H    3.554500      -3.944700      0.2288000    
 H    4.577400      -2.842900       2.202100    
 H  -0.6105000       5.326800      0.4754000    
 H  -0.8751000       3.662600       1.028000    
 H   -1.082100       4.069800     -0.6796000    
 H    1.538300       3.666300       2.040900    
 H    1.743700       5.330200       1.463200    
 H    2.901300       4.075500      0.9917000    


%chk=000044182-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044182

0 1
O -0.551041 -0.781895 -0.230781
O -0.229112 -1.052058 -2.523274
O 2.340093 -0.272337 -2.423508
N -3.896732 0.366380 0.005834
C -2.482429 -1.550996 1.059005
C -1.984053 -1.236100 -0.364346
C -3.969692 -1.991472 0.932586
C -2.397237 -0.278307 1.945971
C -2.873233 -0.095246 -0.970610
C -4.793498 -0.777457 0.358921
C -3.215426 0.865391 1.242737
C 0.178532 -0.709001 -1.384425
C 1.606836 -0.088265 -1.165371
C 2.365741 -0.843719 -0.057658
C 1.396395 1.346895 -0.871730
C 2.391127 -0.371065 1.274343
C 3.016567 -2.057630 -0.382989
C 1.198136 2.549421 -0.676369
C 0.962013 3.988832 -0.434802
C 3.060065 -1.108717 2.276384
C 3.684859 -2.793804 0.619619
C 3.706982 -2.323812 1.953536
C -0.558768 4.297771 -0.340861
C 1.716361 4.474577 0.834293
H -1.872843 -2.362200 1.493072
H -1.976975 -2.135022 -1.007159
H -4.342613 -2.292776 1.928782
H -4.053315 -2.876989 0.273106
H -1.341485 0.011026 2.083074
H -2.812958 -0.510278 2.944444
H -2.236967 0.764444 -1.249764
H -3.382880 -0.447461 -1.883866
H -5.351526 -1.068094 -0.549419
H -5.528652 -0.411167 1.097394
H -3.990744 1.277125 1.913405
H -2.554009 1.699196 0.944075
H 1.657066 -0.352418 -3.147616
H 1.896989 0.574668 1.520870
H 3.021868 -2.395656 -1.423408
H 1.369700 4.542562 -1.306114
H 3.080985 -0.733510 3.305894
H 4.194350 -3.728373 0.359035
H 4.228919 -2.893855 2.730568
H -0.717083 5.383104 -0.205515
H -1.008621 3.772694 0.521645
H -1.089826 3.978547 -1.254532
H 1.331920 3.961230 1.734143
H 1.571853 5.562230 0.967450
H 2.798263 4.271083 0.756833


