%chk=000004098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004098

0 1
 S   -3.476000     -0.6067000       1.139800    
 N   0.2425000     -0.5294000      0.3880000    
 N    3.854300      -1.346700      0.1058000    
 N  -0.6304000       1.586700       1.048300    
 C    1.411500      -1.239800     -7.2999999E-02
 C    2.661100     -0.6213000      0.5406000    
 C  -0.8000000      -1.278400       1.091600    
 C   8.6900003E-02  0.8457000      0.1633000    
 C   -2.111200      -1.244100      0.3524000    
 C    5.051500     -0.7786000      0.7243000    
 C    3.968300      -1.316100      -1.351900    
 C   0.6835000       1.389200     -0.9713000    
 C   -2.362100      -1.673500     -0.9149000    
 C   -3.729000      -1.475400      -1.264600    
 C   0.5382000       2.751600      -1.207700    
 C   -4.447900     -0.9030000     -0.2384000    
 C  -0.7502000       2.907400      0.7853000    
 C  -0.1908000       3.532400     -0.3174000    
 H    1.365300      -2.297000      0.2199000    
 H    1.408500      -1.247500      -1.166800    
 H    2.766400      0.4426000      0.3016000    
 H    2.577900     -0.6856000       1.634000    
 H  -0.8972000     -0.8864000       2.112400    
 H  -0.5144000      -2.331300       1.213200    
 H    5.939800      -1.357900      0.4484000    
 H    4.978700     -0.8218000       1.816800    
 H    5.215100      0.2646000      0.4302000    
 H    4.943400      -1.709200      -1.665700    
 H    3.875000     -0.3031000      -1.760300    
 H    3.237000      -1.971400      -1.834400    
 H    1.238200      0.8058000      -1.696900    
 H   -1.619800      -2.109400      -1.571300    
 H   -4.163000      -1.739500      -2.220200    
 H   0.9875000       3.203900      -2.086700    
 H   -5.497400     -0.6446000     -0.2322000    
 H   -1.329000       3.471300       1.509400    
 H  -0.3184000       4.596000     -0.4825000    


%chk=000004098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004098

0 1
S -3.145622 -0.454870 -0.505065
N 0.150655 0.238731 0.269392
N 3.387030 -1.679175 -0.383353
N -0.946988 2.269423 0.748091
C 1.115179 -0.597189 -0.462600
C 2.476941 -0.711319 0.270464
C -0.794325 -0.449324 1.181489
C 0.072634 1.619623 0.090782
C -1.849774 -1.262481 0.471708
C 4.472376 -2.121773 0.517379
C 3.917949 -1.196067 -1.675752
C 0.999851 2.339828 -0.733844
C -2.005895 -2.641829 0.440099
C -3.134855 -3.092968 -0.340637
C 0.837146 3.727697 -0.880747
C -3.846399 -2.055119 -0.919005
C -1.070122 3.614843 0.597546
C -0.216810 4.397302 -0.208729
H 0.690161 -1.611330 -0.568404
H 1.243952 -0.204631 -1.487577
H 2.938165 0.305450 0.367294
H 2.279910 -1.069919 1.298684
H -1.255336 0.334582 1.805958
H -0.223911 -1.136228 1.837597
H 5.066872 -2.909830 0.021031
H 4.040262 -2.550454 1.439001
H 5.171145 -1.297913 0.812345
H 4.554071 -1.978231 -2.126709
H 4.533738 -0.265064 -1.574253
H 3.095423 -0.990233 -2.381591
H 1.829109 1.831792 -1.232425
H -1.328308 -3.319668 0.967763
H -3.401796 -4.144861 -0.468327
H 1.536696 4.288926 -1.510581
H -4.728827 -2.098683 -1.555273
H -1.899130 4.074294 1.149440
H -0.367367 5.476167 -0.302086


