%chk=000042610.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042610

0 1
 S    2.866900     -0.6061000       1.331000    
 N  -0.3636000       2.672600      9.0499997E-02
 N   -4.734200     -0.9957000      -1.759700    
 N    4.403600      0.2619000     -0.6818000    
 C   -1.536700       1.756200      0.1341000    
 C   -1.243600      0.4136000      0.8681000    
 C   -2.089900       1.548300      -1.324200    
 C   0.9324000       1.301800       1.705000    
 C   0.3432000       2.684800       1.380800    
 C   -3.101900      0.4583000      -1.356500    
 C   -2.260300     -0.6567000      0.7637000    
 C  -0.1024000      0.2222000       1.552200    
 C   -3.103200     -0.5266000     -0.3467000    
 C   -4.119500      -1.431000     -0.6057000    
 C    2.150900      0.9797000      0.8368000    
 C  -0.7439000       4.042400     -0.2692000    
 C   -4.122600      0.1490000      -2.224100    
 C   -2.483300      -1.747200       1.612700    
 C   -4.354900      -2.523900      0.2298000    
 C   -3.513000      -2.660800       1.344900    
 C    4.242600     -0.7516000      0.1937000    
 C    5.057100      -1.866500      0.2603000    
 C    6.115300      -1.947600     -0.6382000    
 C    5.442500      0.1481000      -1.539300    
 C    6.318600     -0.9252000      -1.558300    
 H   -2.333100       2.235700      0.7257000    
 H   -2.549800       2.470400      -1.696400    
 H   -1.268000       1.284700      -2.002600    
 H    1.239800       1.330800       2.759800    
 H  -0.3373000       2.998400       2.185200    
 H    1.162800       3.414700       1.359900    
 H   8.4799998E-02 -0.7216000       2.056400    
 H    1.871400      0.9361000     -0.2224000    
 H    2.904800       1.765300      0.9597000    
 H   0.1352000       4.697400     -0.2704000    
 H   -1.480500       4.462000      0.4254000    
 H   -1.150300       4.093500      -1.283400    
 H   -4.472700      0.6280000      -3.127700    
 H   -1.871200      -1.899800       2.497700    
 H   -5.518300      -1.451700      -2.205400    
 H   -5.148900      -3.235300      3.2299999E-02
 H   -3.666400      -3.498600       2.021700    
 H    4.894800      -2.662100      0.9798000    
 H    6.780300      -2.805800     -0.6215000    
 H    5.557600      0.9715000      -2.236600    
 H    7.136800     -0.9672000      -2.268000    


%chk=000042610-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042610

0 1
S 2.832901 -1.003898 -1.339553
N -0.415270 2.495730 -0.554396
N -5.659741 -0.571888 -0.509774
N 4.689337 0.404221 0.149207
C -1.569979 1.667096 -0.105889
C -1.119483 0.246416 0.311878
C -2.678199 1.646164 -1.219934
C 1.327428 0.897012 0.223155
C 0.768186 2.332063 0.327258
C -3.786528 0.698887 -0.836368
C -2.218265 -0.711589 0.599175
C 0.198288 -0.088572 0.425826
C -3.475330 -0.402965 0.028936
C -4.641541 -1.199217 0.223058
C 2.062898 0.711615 -1.125688
C -0.762232 3.922086 -0.728435
C -5.138582 0.579677 -1.149815
C -2.163277 -1.879309 1.397017
C -4.582413 -2.368834 1.015438
C -3.325697 -2.684455 1.588255
C 4.403694 -0.793957 -0.424681
C 5.283120 -1.910008 -0.360167
C 6.502976 -1.760491 0.326047
C 5.878449 0.532441 0.810578
C 6.815936 -0.514179 0.927625
H -2.045527 2.126684 0.805154
H -3.066621 2.667497 -1.379912
H -2.189467 1.329552 -2.163107
H 2.080901 0.762008 1.025116
H 0.522202 2.547242 1.398451
H 1.537029 3.062261 0.012702
H 0.474519 -1.120893 0.675123
H 1.367264 0.822760 -1.972888
H 2.897984 1.426767 -1.210709
H 0.142329 4.479335 -1.028915
H -1.166172 4.393556 0.203791
H -1.509965 4.050533 -1.528111
H -5.778442 1.201911 -1.773331
H -1.231912 -2.165147 1.898261
H -6.623878 -0.888541 -0.577982
H -5.453713 -3.009157 1.190489
H -3.245625 -3.580032 2.215398
H 5.011319 -2.856634 -0.837418
H 7.200792 -2.602110 0.391267
H 6.068645 1.515110 1.257388
H 7.753563 -0.360349 1.469580


