%chk=000054742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054742

0 1
 S   -2.241200       1.449300      -1.393200    
 N    1.618000     -0.4818000     -0.4553000    
 N    4.427200     -0.8348000     -0.1294000    
 N  -3.9999999E-04   1.111100      0.1393000    
 N  -0.6037000      -1.123600     -0.4942000    
 N   -1.018000       3.103900      0.3505000    
 C    2.164900      -1.822100     -0.2478000    
 C    2.547000      0.4794000      -1.048200    
 C    3.477300      -1.739600      0.5340000    
 C    3.851200      0.5123000     -0.2489000    
 C   0.2943000     -0.2008000     -0.2795000    
 C    5.691700     -0.7901000      0.6036000    
 C   -1.069400       1.914700     -0.2057000    
 C   -1.969200      -1.040200     -0.1724000    
 C   0.8063000       1.908300      0.9292000    
 C   -2.827700      6.6999998E-03 -0.5371000    
 C   0.1437000       3.103400       1.066900    
 C   -2.515200      -2.142100      0.5084000    
 C   -4.193800     -5.8400001E-02 -0.2177000    
 C   -3.871200      -2.199600      0.8313000    
 C   -4.711800      -1.156100      0.4662000    
 H    2.326100      -2.302300      -1.220800    
 H    1.466900      -2.452900      0.3151000    
 H    2.147900       1.491000      -1.163800    
 H    2.764200      0.1473000      -2.072800    
 H    3.273400      -1.401100       1.558800    
 H    3.903800      -2.747800      0.5996000    
 H    4.555800       1.166600     -0.7770000    
 H    3.690300      0.9476000      0.7436000    
 H    5.566100     -0.4155000       1.626000    
 H    6.412900     -0.1473000      8.6900003E-02
 H    6.141300      -1.787900      0.6550000    
 H    1.713600       1.547700       1.387700    
 H   0.4484000       3.960900       1.648800    
 H   -1.874900      -2.975800      0.7912000    
 H   -4.869700      0.7483000     -0.4938000    
 H   -4.268100      -3.060700       1.360600    
 H   -5.768900      -1.195700      0.7111000    


%chk=000054742-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054742

0 1
S -2.133544 1.224165 -1.686279
N 1.672100 -0.357150 -0.198284
N 4.496170 -0.895179 -0.199945
N -0.036282 1.259652 0.175192
N -0.552074 -1.106821 -0.141375
N -1.150566 3.239122 0.049662
C 2.161039 -1.753856 -0.234925
C 2.622158 0.604207 -0.813197
C 3.543299 -1.834191 0.436656
C 3.994584 0.494966 -0.127459
C 0.305414 -0.120236 -0.093751
C 5.868215 -1.032431 0.323908
C -1.079037 1.991236 -0.431559
C -1.946630 -1.062306 0.026873
C 0.566164 2.124591 1.113721
C -2.817329 -0.107626 -0.587987
C -0.126030 3.328866 1.012957
C -2.548797 -2.109623 0.784987
C -4.217199 -0.192349 -0.435381
C -3.945167 -2.190885 0.940513
C -4.789569 -1.233565 0.328401
H 2.234443 -2.098340 -1.286751
H 1.425049 -2.391146 0.278751
H 2.234629 1.630751 -0.730975
H 2.738009 0.356772 -1.889171
H 3.427227 -1.625081 1.531956
H 3.933273 -2.863208 0.328681
H 4.709727 1.159816 -0.646198
H 3.903267 0.850996 0.932864
H 5.954745 -0.787812 1.412804
H 6.547196 -0.361777 -0.232362
H 6.219177 -2.069423 0.177612
H 1.373504 1.792817 1.760243
H 0.032900 4.247159 1.573101
H -1.885760 -2.853382 1.237993
H -4.851228 0.563665 -0.909648
H -4.377133 -3.004424 1.533765
H -5.876842 -1.295673 0.440806


