%chk=000065844.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065844

0 1
 S    3.825400       1.891500     -0.6444000    
 F   -1.039400      -4.394000     -0.1018000    
 N   -1.332500      0.3581000      0.5763000    
 N   -3.907900       1.551400      0.3364000    
 N   0.8452000       1.723400     -0.9411000    
 C   -1.493600       1.556900     -0.2674000    
 C   -2.949000       1.594200     -0.7810000    
 C   -2.283500      0.2732000       1.687100    
 C   -3.715300      0.3405000       1.149700    
 C  -0.5211000       1.637600      -1.444500    
 C  -0.6244000     -0.7565000      0.1502000    
 C   0.6804000     -0.6599000     -0.3808000    
 C   -5.281000       1.622000     -0.1616000    
 C    1.383600      0.6554000     -0.4535000    
 C   -1.171500      -2.052500      0.2342000    
 C    1.374300      -1.792700     -0.8409000    
 C    2.754500      0.7589000      6.2600002E-02
 C  -0.4779000      -3.182800     -0.2101000    
 C   0.7926000      -3.051800     -0.7536000    
 C    3.347900      4.9800001E-02   1.082100    
 C    4.702300      0.4418000       1.286700    
 C    5.090800       1.435300      0.4152000    
 H   -1.326400       2.435900      0.3717000    
 H   -3.096700       2.521000      -1.349400    
 H   -3.125800      0.7555000      -1.468500    
 H   -2.107300       1.122700       2.360300    
 H   -2.139300     -0.6238000       2.300500    
 H   -3.939800     -0.5580000      0.5609000    
 H   -4.403200      0.3542000       2.003600    
 H  -0.6446000      0.8123000      -2.157600    
 H  -0.7197000       2.552200      -2.016200    
 H   -5.991900       1.637300      0.6720000    
 H   -5.530100      0.7758000     -0.8120000    
 H   -5.438700       2.548300     -0.7251000    
 H   -2.171600      -2.209400      0.6321000    
 H    2.368900      -1.706100      -1.270900    
 H    1.330400      -3.927700      -1.102800    
 H    2.845600     -0.7099000       1.667500    
 H    5.357700      1.8100001E-02   2.036500    
 H    6.057100       1.915400      0.3504000    


%chk=000065844-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065844

0 1
S 3.755748 2.240892 -0.387228
F -1.037083 -4.474861 0.109909
N -1.349356 0.353319 0.581596
N -3.984970 1.545739 0.294889
N 0.859227 1.756029 -0.917028
C -1.537192 1.581008 -0.250814
C -2.989716 1.629010 -0.797790
C -2.375531 0.255007 1.641711
C -3.812022 0.301877 1.080143
C -0.527433 1.651545 -1.409984
C -0.624740 -0.775937 0.157901
C 0.721990 -0.673541 -0.361345
C -5.367749 1.727211 -0.186898
C 1.415514 0.651548 -0.451997
C -1.180408 -2.082749 0.320197
C 1.409156 -1.852650 -0.751177
C 2.804971 0.750100 0.018433
C -0.437202 -3.206588 -0.052404
C 0.849660 -3.138753 -0.611837
C 3.559541 -0.116214 0.811378
C 4.884372 0.363007 1.102743
C 5.151010 1.601596 0.535516
H -1.392437 2.459534 0.409645
H -3.136397 2.588271 -1.329305
H -3.120846 0.800046 -1.543835
H -2.248403 1.128627 2.311797
H -2.209973 -0.656349 2.238523
H -4.010926 -0.611722 0.460396
H -4.535652 0.306236 1.916867
H -0.673237 0.766564 -2.069461
H -0.748179 2.559058 -1.999159
H -6.062977 1.723895 0.671531
H -5.695657 0.931888 -0.902636
H -5.458180 2.703563 -0.695474
H -2.200034 -2.223580 0.686875
H 2.416204 -1.752483 -1.168014
H 1.382232 -4.044768 -0.909923
H 3.162508 -1.059330 1.192910
H 5.605516 -0.186313 1.712643
H 6.063152 2.193871 0.593508


