%chk=000095844.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095844

0 1
 S  -0.1827000     -0.5808000     -0.5296000    
 O    3.459300       2.631300     -0.8336000    
 O    1.523700       2.018400      1.4000000E-03
 N   -3.272600     -0.6414000      -1.738200    
 N   -5.181400     -0.1220000     -0.7109000    
 N   -1.771500      0.2220000       1.506300    
 N   -4.199400      0.4511000       1.438000    
 N    2.705300       1.764300     -0.3320000    
 C    2.414000     -0.5521000      0.4151000    
 C   0.9934000     -0.2770000      0.8248000    
 C   -2.923500     -0.2790000     -0.4685000    
 C   -1.728800     -0.1866000      0.2183000    
 C    3.207100      0.4482000     -0.1352000    
 C   -4.125400      3.8899999E-02  0.1495000    
 C    2.917600      -1.834900      0.6001000    
 C    4.521000      0.1623000     -0.5056000    
 C    4.231800      -2.120700      0.2295000    
 C    5.033500      -1.122200     -0.3233000    
 C   -4.634600     -0.5314000      -1.835700    
 C   -2.986800      0.5116000       2.029400    
 H   0.7361000      -1.038700       1.576400    
 H   0.8373000      0.6350000       1.407300    
 H    2.306900      -2.625800       1.026900    
 H   -2.643800     -0.9369000      -2.473300    
 H    5.177400      0.9122000     -0.9398000    
 H    4.630600      -3.121000      0.3708000    
 H    6.056500      -1.345500     -0.6119000    
 H   -5.161700     -0.7639000      -2.750000    
 H   -2.984600      0.8363000       3.064400    


%chk=000095844-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095844

0 1
S -0.253661 -1.398872 -0.318911
O 2.290553 2.166349 -1.395513
O 0.882206 1.568313 0.287526
N -3.121723 -0.479300 -1.887453
N -4.913982 0.659920 -1.021035
N -1.739329 -0.000302 1.561145
N -3.971444 0.968984 1.260239
N 1.941927 1.387567 -0.425002
C 2.367942 -0.904447 0.615571
C 0.965850 -1.122745 1.130405
C -2.796965 -0.208398 -0.558049
C -1.696344 -0.456709 0.289722
C 2.828525 0.234239 -0.112100
C -3.926840 0.509486 -0.027172
C 3.325340 -1.927729 0.849747
C 4.159914 0.344800 -0.575310
C 4.661486 -1.825735 0.408862
C 5.082985 -0.683445 -0.309315
C -4.394938 0.062959 -2.105294
C -2.856988 0.688496 1.981686
H 0.919582 -2.027193 1.754554
H 0.534113 -0.269356 1.677337
H 3.003618 -2.823927 1.391953
H -2.537449 -0.956163 -2.573642
H 4.445508 1.238199 -1.136650
H 5.366986 -2.635944 0.620382
H 6.116132 -0.594627 -0.658927
H -4.894168 -0.005361 -3.069769
H -2.834135 1.042640 3.015611


