%chk=000139031.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000139031

0 1
 O    5.249400     -0.2537000     -3.9200000E-02
 O  -0.8946000       1.799100      0.2539000    
 N  -0.2930000     -0.4429000     -8.7700002E-02
 C    1.122600     -0.3942000     -7.4699998E-02
 C   -2.610900      0.2440000      3.6699999E-02
 C    1.756000      0.8219000      0.1144000    
 C    1.840500      -1.564500     -0.2529000    
 C   -1.204200      0.6107000      7.0400000E-02
 C    3.889400     -0.2999000     -5.2299999E-02
 C    3.149900      0.8696000      0.1256000    
 C    3.234600      -1.516900     -0.2416000    
 C   -3.564500       1.174700     -0.3761000    
 C   -3.006900      -1.038400      0.4166000    
 C   -4.913900      0.8231000     -0.4087000    
 C   -4.356400      -1.390100      0.3839000    
 C   -5.309800     -0.4592000     -2.8800000E-02
 C    5.911700       1.016900      0.1605000    
 H  -0.6616000      -1.371400     -0.2746000    
 H    1.255400       1.767600      0.2587000    
 H    1.340700      -2.517700     -0.4010000    
 H    3.605600       1.842600      0.2769000    
 H    3.805100      -2.431200     -0.3803000    
 H   -3.277000       2.177500     -0.6812000    
 H   -2.307200      -1.784300      0.7817000    
 H   -5.656400       1.547400     -0.7307000    
 H   -4.666400      -2.385600      0.6880000    
 H   -6.360700     -0.7325000     -5.2600000E-02
 H    5.666200       1.432500       1.142800    
 H    5.674600       1.710200     -0.6525000    
 H    6.988800      0.8264000      0.1360000    


%chk=000139031-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000139031

0 1
O 5.355878 -0.325442 -0.031206
O -0.950229 1.874789 0.116794
N -0.306661 -0.373814 -0.089882
C 1.114611 -0.271120 -0.065717
C -2.691576 0.184348 0.015079
C 1.808088 0.950878 0.124109
C 1.861003 -1.470978 -0.239614
C -1.253760 0.642681 0.026234
C 3.954056 -0.230803 -0.030891
C 3.220416 0.967450 0.142441
C 3.263701 -1.454159 -0.223087
C -3.672342 1.136052 -0.365892
C -3.106328 -1.119441 0.398241
C -5.037369 0.784934 -0.393445
C -4.474468 -1.469080 0.375022
C -5.442982 -0.520970 -0.028220
C 6.112880 0.913827 0.157835
H -0.670015 -1.314184 -0.258308
H 1.237364 1.872475 0.249240
H 1.338692 -2.425150 -0.388585
H 3.729624 1.924239 0.291299
H 3.844235 -2.371703 -0.356030
H -3.336864 2.144810 -0.627421
H -2.381175 -1.858201 0.762642
H -5.784936 1.526258 -0.696041
H -4.785009 -2.473486 0.683042
H -6.503953 -0.793662 -0.046088
H 5.891258 1.376089 1.139643
H 5.902522 1.641571 -0.650112
H 7.170339 0.613491 0.120115


