%chk=000082461.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000082461

0 1
 S   -1.961700       1.395100     -0.1636000    
 S   0.9936000       2.074400     -0.1496000    
 N   -2.666500     -0.1081000     -7.8800000E-02
 N   7.6499999E-02 -0.3322000     -9.3999999E-03
 C   -4.099900     -0.2707000     -0.2731000    
 C   -4.865700      0.3505000      0.8917000    
 C   -4.427900      -1.753700     -0.4157000    
 C    2.141400      0.7923000     -4.2199999E-02
 C    1.460100     -0.4268000      2.4400000E-02
 C  -0.2758000      0.9290000     -9.9299997E-02
 C    3.543700      0.8604000     -1.8500000E-02
 C    2.211400      -1.618500      0.1179000    
 C    4.263200     -0.3336000      7.4400000E-02
 C    3.607700      -1.558100      0.1419000    
 H   -4.406400      0.2243000      -1.203500    
 H   -5.942000      0.1821000      0.7735000    
 H   -4.567100     -8.8500001E-02   1.850700    
 H   -4.715500       1.433500      0.9517000    
 H   -3.887900      -2.195700      -1.260600    
 H   -5.498900      -1.897400     -0.5950000    
 H   -4.161000      -2.314800      0.4871000    
 H   -2.381700     -0.5831000      0.7778000    
 H    4.062300       1.812800     -7.0799999E-02
 H    1.709500      -2.580500      0.1711000    
 H    5.349400     -0.3031000      9.4200000E-02
 H    4.184000      -2.476400      0.2138000    


%chk=000082461-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000082461

0 1
S -2.121745 1.296021 1.805041
S 0.801032 2.166549 0.901219
N -3.088271 -0.192434 1.519554
N -0.144683 -0.360386 0.718700
C -3.465513 -0.489636 0.097107
C -4.467408 0.561353 -0.411069
C -4.069821 -1.909950 0.097663
C 1.880460 0.850641 0.258104
C 1.182630 -0.402277 0.236844
C -0.496089 0.847808 1.093412
C 3.214133 0.960355 -0.178234
C 1.841346 -1.560896 -0.236859
C 3.856691 -0.208356 -0.648536
C 3.176015 -1.454872 -0.676988
H -2.562938 -0.487990 -0.552115
H -4.733735 0.357025 -1.464076
H -5.386582 0.539855 0.201125
H -4.038216 1.577833 -0.357217
H -3.330790 -2.664631 0.426779
H -4.396439 -2.178557 -0.922458
H -4.945901 -1.955066 0.769341
H -2.600095 -0.989020 1.960968
H 3.744973 1.916890 -0.158912
H 1.305075 -2.514387 -0.249974
H 4.893928 -0.147295 -0.994672
H 3.696744 -2.345380 -1.044646


