%chk=000140176.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000140176

0 1
 S    3.781800       1.427000      4.6100002E-02
 N  -0.9196000      9.7700000E-02 -1.1000000E-03
 N  -0.7801000       1.434700      3.7500001E-02
 N   0.5243000       1.702800      4.7699999E-02
 N   0.5521000      -1.839000     -5.3300001E-02
 N    2.891000      -1.134300     -2.8800000E-02
 C   -2.248100     -0.5089000     -2.1500001E-02
 C   -3.107100     -0.1222000      -1.241700    
 C   -3.091000     -0.1702000       1.219800    
 C   -4.329500      0.5878000     -0.6708000    
 C   -4.514300     -5.0600000E-02  0.6951000    
 C   0.2879000     -0.5257000     -1.6500000E-02
 C    1.197800      0.5142000      1.5000000E-02
 C    2.545200      0.1761000      7.8999996E-03
 C    1.888000      -2.046700     -5.6499999E-02
 C    5.321500      0.4571000      2.1199999E-02
 H   -2.088000      -1.594400     -5.1500000E-02
 H   -3.427300      -1.034500      -1.760400    
 H   -2.582500      0.5016000      -1.972600    
 H   -2.785500      0.7793000       1.675100    
 H   -3.006600     -0.9427000       1.991100    
 H   -5.210900      0.4731000      -1.308300    
 H   -4.123400       1.659200     -0.5617000    
 H   -5.150100      0.5487000       1.353000    
 H   -4.965300      -1.044600      0.5926000    
 H    2.201800      -3.084700     -8.5400000E-02
 H    6.173400       1.141900      4.2300001E-02
 H    5.380700     -0.1437000     -0.8904000    
 H    5.377300     -0.1948000      0.8971000    


%chk=000140176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000140176

0 1
S 3.818148 1.523518 0.034468
N -0.976553 0.020902 0.009838
N -0.852083 1.437896 0.042573
N 0.461182 1.746966 0.046337
N 0.613743 -1.878746 -0.040224
N 2.940722 -1.086206 -0.024269
C -2.300007 -0.638358 -0.018342
C -3.157675 -0.208439 -1.256404
C -3.156357 -0.278256 1.243408
C -4.285243 0.685523 -0.682507
C -4.572279 0.042128 0.697080
C 0.273146 -0.554861 -0.007425
C 1.184067 0.546699 0.017222
C 2.571441 0.223624 0.007246
C 1.962530 -2.055683 -0.046007
C 5.383614 0.477277 0.004584
H -2.062215 -1.715932 -0.054920
H -3.590892 -1.114630 -1.719366
H -2.544960 0.298137 -2.020619
H -2.728848 0.623261 1.716311
H -3.149151 -1.090713 1.989878
H -5.172524 0.722160 -1.338524
H -3.914009 1.718333 -0.546612
H -5.139819 0.703006 1.375245
H -5.158611 -0.888268 0.565573
H 2.320240 -3.088879 -0.071569
H 6.213073 1.200775 0.017746
H 5.402856 -0.133076 -0.908341
H 5.409966 -0.173959 0.888620


