%chk=000133870.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133870

0 1
 O   -5.986400     -0.9422000       0.000000    
 O   -5.707700       1.235300     -1.2000001E-03
 N  -0.5776000       1.686000     -3.0000001E-04
 N    5.163700      -1.167200     -6.0000003E-04
 N   -5.244900      6.9600001E-02 -5.0000002E-04
 C   0.3642000     -0.3337000      1.9999999E-04
 C   0.6327000       1.033000      1.9999999E-04
 C   -1.058400     -0.4906000      6.0000003E-04
 C    1.449800      -1.234100      9.9999997E-05
 C    1.933600       1.551800      5.0000002E-04
 C   -1.617900      0.7872000     -1.9999999E-04
 C    2.768300     -0.7389000       0.000000    
 C    3.010900      0.6490000      3.9999999E-04
 C   -1.923100      -1.605300      1.3000000E-03
 C    1.212200      -2.715900     -1.2000001E-03
 C   -2.999700       1.009000     -6.9999998E-04
 C    2.152300       3.033000      3.9999999E-04
 C    4.334600       1.102800      3.0000001E-04
 C    3.878200      -1.586000     -5.0000002E-04
 C   -3.835500     -0.1109000      1.9999999E-04
 C   -3.307300      -1.399700      1.4000000E-03
 C    5.358000      0.1677000     -3.0000001E-04
 H  -0.6987000       2.688700     -6.9999998E-04
 H   -1.561400      -2.626400     -2.1500001E-02
 H    1.054800      -3.074700      -1.022700    
 H    2.009500      -3.299700      0.4625000    
 H   0.3463000      -2.970600      0.6121000    
 H   -3.379900       2.025700     -1.4000000E-03
 H    2.708700       3.336700      0.8937000    
 H    2.707700       3.336800     -0.8934000    
 H    1.220000       3.604000      8.9999998E-04
 H    4.598000       2.155200      5.0000002E-04
 H    3.812600      -2.666800     -2.7000001E-02
 H   -3.944600      -2.281200     -3.1999999E-03
 H    6.396400      0.4828000     -3.9999999E-04


%chk=000133870-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133870

0 1
O -6.063783 -0.971393 -0.022809
O -5.753308 1.288661 -0.026328
N -0.584196 1.719989 -0.006921
N 5.240626 -1.175248 0.017623
N -5.304663 0.074585 -0.021961
C 0.395022 -0.375531 0.001475
C 0.654049 1.055270 -0.000818
C -1.059284 -0.539443 -0.003743
C 1.458017 -1.300424 0.007855
C 1.937203 1.612171 0.002849
C -1.628021 0.787046 -0.008868
C 2.796927 -0.765102 0.010448
C 3.027583 0.678822 0.007707
C -1.936370 -1.653770 -0.005011
C 1.160336 -2.787863 0.011620
C -3.011643 1.019780 -0.014856
C 2.173949 3.110335 0.001109
C 4.394735 1.121326 0.009660
C 3.966443 -1.608925 0.015585
C -3.838339 -0.125190 -0.015715
C -3.328611 -1.448528 -0.010963
C 5.436474 0.197254 0.014453
H -0.707537 2.729269 -0.011253
H -1.550161 -2.674846 -0.001698
H 0.573066 -3.071421 -0.882233
H 2.063206 -3.413608 0.020897
H 0.559899 -3.063897 0.898945
H -3.461191 2.015758 -0.018755
H 2.756031 3.429772 0.885644
H 2.738182 3.430968 -0.894674
H 1.232640 3.685753 0.011618
H 4.626387 2.190164 0.006908
H 3.854970 -2.697844 0.017909
H -4.031964 -2.284307 -0.012091
H 6.482724 0.520818 0.015890


