%chk=000046358.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046358

0 1
 N   -4.283600     -0.1462000       1.053900    
 N    4.315200     -0.1334000      -1.005800    
 N   -2.071000      -2.643200     -0.5632000    
 N   -2.538200       1.482400      -1.923800    
 N    2.055700      -2.648400      0.5440000    
 N    2.514400       1.466700       1.938800    
 C  -0.5148000      0.2167000      0.5606000    
 C   0.5175000      0.2247000     -0.5860000    
 C  -0.2187000       1.720900      0.7349000    
 C   0.2141000       1.729000     -0.7462000    
 C   -1.945700     -9.2900001E-02  0.1112000    
 C    1.932500     -8.8200003E-02 -0.1251000    
 C   -2.883700      0.1938000       1.311000    
 C    2.919200      0.1959000      -1.296300    
 C   -2.016700      -1.522200     -0.2676000    
 C   -2.277700      0.7893000      -1.030000    
 C    2.012500      -1.525300      0.2541000    
 C    2.268900      0.7803000       1.035700    
 H  -0.2410000     -0.3788000       1.442300    
 H   0.2465000     -0.3638000      -1.472900    
 H   0.4282000       2.078400       1.525000    
 H   -1.102500       2.357000      0.8882000    
 H  -0.4359000       2.085500      -1.534600    
 H    1.097300       2.366700     -0.8965000    
 H   -2.851500       1.251400       1.594600    
 H   -2.554100     -0.3741000       2.191000    
 H    2.885200       1.252900      -1.582900    
 H    2.614100     -0.3744000      -2.183500    
 H   -4.835800      5.3500000E-02   1.887100    
 H   -4.372900      -1.147900      0.8904000    
 H    4.884600      6.3900001E-02  -1.827900    
 H    4.406500      -1.133400     -0.8330000    


%chk=000046358-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046358

0 1
N -4.282109 -0.424461 1.314659
N 4.293350 -0.418425 -1.309342
N -1.851444 -2.708992 -0.392781
N -3.062390 1.286362 -1.783578
N 1.867174 -2.705350 0.401094
N 3.073424 1.292878 1.787283
C -0.530921 0.457746 0.579542
C 0.541088 0.458292 -0.573742
C -0.441346 2.026955 0.646982
C 0.448755 2.027313 -0.642275
C -1.942964 -0.106144 0.204492
C 1.954098 -0.102920 -0.198478
C -2.932277 0.032019 1.489603
C 2.942700 0.035541 -1.484236
C -1.873499 -1.540063 -0.155541
C -2.547137 0.643425 -0.920453
C 1.887146 -1.536549 0.163056
C 2.557601 0.648807 0.925345
H -0.208802 -0.067699 1.497327
H 0.219803 -0.068219 -1.491215
H 0.093476 2.377529 1.544168
H -1.394680 2.573809 0.562505
H -0.086632 2.376326 -1.539725
H 1.401163 2.575827 -0.558116
H -2.922442 1.101690 1.764485
H -2.438043 -0.534767 2.299713
H 2.930807 1.104924 -1.760196
H 2.449080 -0.533007 -2.293472
H -4.925516 0.153506 0.775980
H -4.452364 -1.428592 1.277213
H 4.936067 0.161247 -0.771691
H 4.465433 -1.422207 -1.271104


