%chk=000029928.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029928

0 1
 O  -0.3647000     -0.4976000     -1.1100000E-02
 O   0.8782000      -2.430200     -0.1493000    
 N   -2.943400      0.6336000     -0.9214000    
 N   -4.607500      0.7955000      0.5403000    
 N    4.177400       1.389700      0.1105000    
 C   -2.746700     -0.3264000      7.7000000E-03
 C   -1.574800      -1.261000     -6.0899999E-02
 C   -3.762800     -0.2253000      0.8982000    
 C    1.962500     -0.3118000     -3.5999999E-03
 C   0.8105000      -1.196700     -6.3299999E-02
 C   -4.085300       1.292200     -0.5591000    
 C    3.249200     -0.8374000     -4.2599998E-02
 C    1.781900       1.063600      9.2200004E-02
 C    4.313500      4.7800001E-02  1.6899999E-02
 C    2.911900       1.863900      0.1456000    
 H   -1.600200      -1.956300      0.7862000    
 H   -1.612500      -1.830500     -0.9969000    
 H   -2.365900      0.8338000      -1.727700    
 H   -3.947400     -0.8213000       1.780000    
 H   -4.479300       2.117700      -1.134600    
 H    3.435000      -1.903500     -0.1170000    
 H   0.8073000       1.537800      0.1266000    
 H    5.337000     -0.3114000     -1.0100000E-02
 H    2.825700       2.942900      0.2206000    


%chk=000029928-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029928

0 1
O -0.377141 -0.436578 0.120843
O 0.848588 -2.379664 -0.293855
N -3.078594 0.506865 -1.052688
N -4.751621 0.825150 0.433800
N 4.348575 1.364801 0.140821
C -2.801653 -0.344025 0.031385
C -1.640951 -1.267653 0.072386
C -3.851062 -0.127017 0.932503
C 2.009466 -0.251562 0.004855
C 0.811660 -1.144197 -0.075559
C -4.251154 1.192916 -0.763458
C 3.290532 -0.813586 -0.219979
C 1.914356 1.130689 0.302209
C 4.421109 0.028229 -0.142395
C 3.104606 1.889831 0.358046
H -1.673779 -1.897470 0.976653
H -1.560788 -1.930330 -0.808872
H -2.491026 0.625576 -1.877653
H -4.011673 -0.600812 1.898691
H -4.690050 1.932720 -1.428633
H 3.385693 -1.879623 -0.446888
H 0.941583 1.592243 0.488881
H 5.428266 -0.368196 -0.310409
H 3.074657 2.960793 0.586514


