%chk=000113966.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113966

0 1
 S    1.707100     -0.8987000      0.4033000    
 N   0.2199000     -9.9500000E-02  -1.634400    
 N    1.242400      -2.282500      -1.784300    
 N    5.730400      -1.009800      0.8695000    
 C  -0.9801000       1.134300      9.1399997E-02
 C   -1.945400      6.7599997E-02  0.2452000    
 C   6.6600002E-02   1.036700     -0.8276000    
 C   -1.105700       2.279300      0.8808000    
 C   -3.106500      6.0800001E-02 -0.5277000    
 C   -1.714700     -0.9543000       1.166100    
 C   0.9839000       2.079600     -0.9567000    
 C  -0.1884000       3.322100      0.7517000    
 C   0.8565000       3.222400     -0.1669000    
 C   -4.037100     -0.9677000     -0.3796000    
 C   -2.645200      -1.982900       1.314200    
 C   -3.806400      -1.989600      0.5413000    
 C    3.456800      -1.052100     -2.0400001E-02
 C   0.9461000      -1.081400      -1.189700    
 C    4.319800     -0.8844000       1.223900    
 H   -1.913500       2.375400       1.602700    
 H   -3.301700      0.8495000      -1.250500    
 H  -0.8397000     -0.9527000       1.808600    
 H    1.801000       2.014100      -1.670600    
 H  -0.2875000       4.211900       1.366600    
 H    1.570600       4.034400     -0.2675000    
 H   -4.941400     -0.9728000     -0.9811000    
 H   -2.470100      -2.773800       2.037700    
 H   -4.531900      -2.789300      0.6581000    
 H    3.642700      -2.033500     -0.4692000    
 H    3.705200     -0.2878000     -0.7654000    
 H    4.155300      9.7700000E-02   1.682400    
 H    4.077800      -1.650600       1.969000    
 H    6.302100     -0.8468000       1.697300    
 H    5.982200     -0.2827000      0.2010000    
 H   0.8787000      -2.515500      -2.701900    
 H    1.797800      -2.987100      -1.312200    


%chk=000113966-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113966

0 1
S 1.653419 -2.236797 -0.557252
N 0.437511 -0.037732 -1.971192
N 0.335502 -2.175139 -2.905972
N 4.139584 0.453378 1.554079
C -0.294587 0.874217 0.240677
C -1.317977 -0.188164 0.480849
C 0.508459 0.933154 -0.951062
C -0.137916 1.909663 1.203048
C -2.223938 -0.584155 -0.541668
C -1.456452 -0.778155 1.766661
C 1.368223 2.048525 -1.158303
C 0.753437 2.985647 1.011768
C 1.500885 3.061083 -0.188213
C -3.232385 -1.536939 -0.284835
C -2.462740 -1.734322 2.023700
C -3.356979 -2.119384 0.998542
C 3.097312 -1.031596 -0.191004
C 0.728499 -1.300259 -1.913494
C 3.073595 -0.518135 1.269854
H -0.760012 1.879095 2.105040
H -2.140372 -0.129332 -1.534493
H -0.753529 -0.503695 2.562092
H 1.931788 2.091855 -2.096695
H 0.842353 3.767426 1.773466
H 2.171864 3.908162 -0.371676
H -3.926906 -1.819932 -1.084356
H -2.543793 -2.183482 3.020177
H -4.138290 -2.862030 1.196004
H 4.022133 -1.595412 -0.407242
H 3.010963 -0.196599 -0.903502
H 2.099639 -0.041488 1.470986
H 3.165671 -1.372499 1.966601
H 5.097463 0.102920 1.475566
H 4.005697 1.374683 1.129774
H -0.298846 -1.842372 -3.630867
H 0.728326 -3.111890 -2.951958


