%chk=000003905.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003905

0 1
 O   2.4000000E-02 -0.9716000       1.709600    
 O   -1.074900      -2.546400      -1.324700    
 O   -1.499400      -3.004100      0.8599000    
 N  -0.8400000      0.1056000      -1.754100    
 N    2.905100      0.4621000      -1.076100    
 N    3.555400       1.475900      0.7899000    
 C  -0.7492000      0.2044000     -0.2917000    
 C  -8.6199999E-02  -1.089200      0.2911000    
 C   -2.151300      0.4954000      0.3043000    
 C   -2.859700       1.765800     -0.2192000    
 C    1.341500      -1.306000     -0.2813000    
 C  -0.9604000      -2.311300      7.1999999E-03
 C   -2.027600       3.031200     -7.7999998E-03
 C   -4.215800       1.920200      0.4772000    
 C    2.289800     -0.1432000     -4.9600001E-02
 C    2.677400      0.4632000       1.084600    
 C    3.671300       1.448200     -0.5193000    
 H  -0.1141000       1.059700     -3.6899999E-02
 H   -2.811900     -0.3621000      0.1221000    
 H   -2.060600      0.5888000       1.393600    
 H   -3.060200       1.657600      -1.291500    
 H    1.316100      -1.560800      -1.347700    
 H    1.787800      -2.178100      0.2182000    
 H   9.0200000E-02  7.8999996E-03  -2.156700    
 H   -1.208800      0.9732000      -2.139400    
 H   -2.593200       3.921600     -0.3035000    
 H   -1.115100       3.015900     -0.6112000    
 H   -1.741800       3.147300       1.043100    
 H   -4.756500       2.789500      8.7899998E-02
 H   -4.096200       2.052200       1.558000    
 H   -4.841700       1.037200      0.3100000    
 H  -0.8686000     -0.9638000       2.092600    
 H    2.827500      0.2469000      -2.061900    
 H    2.399000      0.2508000       2.106100    
 H   -1.636000      -3.329100      -1.511100    
 H    4.284400       2.106300      -1.118400    


%chk=000003905-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003905

0 1
O -0.094166 -1.105566 1.596747
O -0.458690 -3.062091 -1.378376
O -1.977337 -2.737334 0.340725
N -1.253087 -0.152552 -1.852691
N 3.085299 0.538601 -0.876508
N 3.346067 1.677035 1.055202
C -0.850501 0.150958 -0.462253
C -0.129817 -1.127526 0.126250
C -2.087053 0.555603 0.369864
C -2.835678 1.824759 -0.130154
C 1.347701 -1.245648 -0.327838
C -0.960943 -2.359860 -0.288531
C -1.906029 3.056309 -0.246845
C -4.024334 2.123802 0.814643
C 2.198452 -0.057524 0.041588
C 2.384320 0.664862 1.226436
C 3.753231 1.572054 -0.224116
H -0.106308 0.975098 -0.389064
H -2.801891 -0.290229 0.402116
H -1.746746 0.752080 1.404521
H -3.266972 1.619716 -1.135208
H 1.367064 -1.411242 -1.420711
H 1.755183 -2.165647 0.131691
H -0.487464 -0.272240 -2.521246
H -1.996944 0.447448 -2.216425
H -2.480382 3.951931 -0.548510
H -1.105060 2.906139 -0.993653
H -1.422280 3.274735 0.724241
H -4.614677 2.986017 0.453114
H -3.660743 2.365741 1.831853
H -4.702641 1.254081 0.895281
H -0.992263 -1.386757 1.918969
H 3.222162 0.243939 -1.842885
H 1.876849 0.510782 2.173673
H -1.076338 -3.813283 -1.594024
H 4.502316 2.197010 -0.704575


