%chk=000162678.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162678

0 1
 S  -0.3941000     -0.9030000      0.1144000    
 N   -4.556200      0.9881000      0.5653000    
 N   -3.836500      -1.108900      0.6946000    
 N    2.628800     -0.5231000     -0.2338000    
 N    4.378300      0.8868000      0.5138000    
 N    4.659700      -1.411700      0.6840000    
 N    3.012300       2.879000     -0.1391000    
 C   -3.064700     -0.3819000     -0.1592000    
 C   -1.915500      -1.038100     -0.8520000    
 C   -3.474700      0.9118000     -0.2665000    
 C   0.7175000      -1.783700      -1.017400    
 C    2.118700      -1.873100     -0.4338000    
 C   -2.988800       2.065600      -1.039000    
 C   -4.734900     -0.2487000       1.119900    
 C    3.808100     -0.4110000      0.2868000    
 C    3.642100       1.952000      0.1621000    
 H   -2.146100      -2.097200      -1.010400    
 H   -1.761700     -0.5794000      -1.834700    
 H   0.7409000      -1.249600      -1.973400    
 H   0.3288000      -2.792100      -1.191700    
 H   -5.123300       1.807000      0.7408000    
 H    2.755400      -2.419400      -1.140500    
 H    2.094700      -2.433000      0.5097000    
 H   -3.090100       1.877100      -2.112600    
 H   -3.546200       2.978100     -0.8040000    
 H   -1.932200       2.255100     -0.8244000    
 H   -5.532000     -0.4543000       1.820200    
 H    5.304200      0.9488000      0.9238000    
 H    5.567700      -1.198900       1.082900    
 H    4.420500      -2.392700      0.5940000    


%chk=000162678-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162678

0 1
S 0.005790 -2.977956 -0.623764
N -1.785600 1.449347 0.653512
N -1.671359 -0.583897 1.626601
N 2.013802 0.010761 -0.604484
N 1.543914 1.296552 1.308550
N 1.594998 -1.023632 1.589330
N 0.827235 3.414010 0.092275
C -1.678240 -0.732370 0.218221
C -1.689034 -2.076703 -0.424260
C -1.741622 0.529096 -0.402313
C 0.912672 -1.886973 -1.895176
C 2.210582 -1.245308 -1.352151
C -1.733689 0.969352 -1.836734
C -1.735718 0.742538 1.848355
C 1.723970 0.018772 0.663387
C 1.202518 2.416117 0.644238
H -2.251760 -2.795400 0.193561
H -2.133358 -2.048407 -1.432111
H 0.214053 -1.104029 -2.231906
H 1.144702 -2.548210 -2.747714
H -1.731635 2.463565 0.543806
H 2.833576 -0.985364 -2.230089
H 2.779806 -2.012908 -0.779408
H -2.532399 1.704930 -2.045390
H -0.766540 1.436292 -2.104148
H -1.892237 0.108695 -2.507829
H -1.772955 1.220494 2.824638
H 1.761039 1.354061 2.305785
H 0.875252 -0.902146 2.310734
H 1.552937 -1.961677 1.174285


