%chk=000031331.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031331

0 1
 N    2.891600      -1.142700     -0.2283000    
 N   0.8025000     -0.9965000      -2.536100    
 C  -0.1616000     -0.2871000     -0.1666000    
 C   0.6764000      -1.045800      0.9351000    
 C    2.202500     -0.7727000       1.005900    
 C   2.0700000E-02   1.256400     -0.1050000    
 C   -1.655300     -0.6403000      3.5399999E-02
 C    2.819700      -1.552200       2.171000    
 C   0.3744000     -0.6965000      -1.499100    
 C  -2.9800000E-02   1.947700      -1.279600    
 C   -2.309500      -1.268100     -0.9881000    
 C   0.2198000       1.822100       1.120000    
 C   -2.237600     -0.3046000       1.226200    
 C    2.754900      -2.577100     -0.4813000    
 C    4.304300     -0.7695000     -0.1581000    
 C   0.1340000       3.331700      -1.224300    
 C   -3.655300      -1.586200     -0.8061000    
 C   0.3836000       3.206300       1.175400    
 C   -3.583500     -0.6225000       1.408100    
 C   0.3406000       3.961100      3.3000000E-03
 C   -4.292300      -1.263500      0.3921000    
 H   0.4822000      -2.123400      0.8413000    
 H   0.2799000     -0.8249000       1.934900    
 H    2.364400      0.2927000       1.197900    
 H    2.634300      -2.629900       2.130000    
 H    2.353100      -1.212000       3.105100    
 H    3.889600      -1.376900       2.309700    
 H  -0.2367000       1.515300      -2.251200    
 H   -1.862600      -1.540300      -1.935700    
 H   0.2568000       1.279600       2.055300    
 H   -1.720900      0.1820000       2.042700    
 H    1.726500      -2.939600     -0.5375000    
 H    3.308800      -3.209400      0.2209000    
 H    3.178000      -2.793800      -1.471100    
 H    4.909600      -1.407300      0.4941000    
 H    4.428200      0.2748000      0.1503000    
 H    4.742100     -0.8419000      -1.160900    
 H   8.9199997E-02   3.921500      -2.135300    
 H   -4.208000      -2.085400      -1.596800    
 H   0.5431000       3.697100       2.131200    
 H   -4.079500     -0.3737000       2.341900    
 H   0.4651000       5.039100      4.6700001E-02
 H   -5.340000      -1.511700      0.5342000    


%chk=000031331-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031331

0 1
N 2.777780 -1.100254 -0.267208
N 0.380080 -1.197304 -2.595223
C -0.151822 -0.335911 -0.114602
C 0.608818 -1.202012 0.965208
C 2.134927 -0.955541 1.060385
C 0.175794 1.168755 0.033164
C -1.682961 -0.633328 0.047885
C 2.752891 -1.833923 2.185337
C 0.223727 -0.804344 -1.478056
C 0.439926 1.983595 -1.094586
C -2.162319 -1.934341 -0.260727
C 0.181621 1.773680 1.317872
C -2.604798 0.333384 0.516056
C 2.925069 -2.469827 -0.788465
C 3.983750 -0.280556 -0.467652
C 0.707918 3.363265 -0.945203
C -3.522024 -2.265565 -0.088880
C 0.450413 3.151163 1.470783
C -3.969641 0.002304 0.687044
C 0.715176 3.954660 0.337706
C -4.434608 -1.297285 0.391458
H 0.406324 -2.268656 0.752878
H 0.149129 -0.998034 1.950700
H 2.280526 0.103635 1.346536
H 2.588055 -2.910455 1.994668
H 2.303847 -1.591903 3.166674
H 3.842347 -1.661978 2.260941
H 0.446434 1.536565 -2.094527
H -1.474533 -2.687784 -0.662823
H -0.026445 1.171274 2.209580
H -2.269536 1.350889 0.735287
H 2.003200 -3.051145 -0.617669
H 3.779330 -3.030514 -0.336876
H 3.077658 -2.426071 -1.882176
H 4.873657 -0.632086 0.113640
H 3.776489 0.766924 -0.185285
H 4.259898 -0.293905 -1.538178
H 0.912589 3.972726 -1.832421
H -3.870690 -3.273839 -0.338645
H 0.451379 3.595355 2.472558
H -4.668392 0.766944 1.044934
H 0.924977 5.023700 0.454113
H -5.492661 -1.550361 0.521396


