%chk=000052764.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052764

0 1
 S    4.646300       1.014700      5.2000001E-02
 O   -2.020000       1.686200     -0.7623000    
 N   -3.425000     -0.4739000      0.3824000    
 N   -5.586700     -0.4895000     -2.9400000E-02
 C   -2.135500     -3.5599999E-02  0.9190000    
 C   7.5300001E-02  0.9496000      8.2000000E-03
 C   -1.378800      0.9289000     -5.5000000E-03
 C    2.864600      0.9896000      3.4499999E-02
 C    5.035700     -0.7018000      0.4956000    
 C    4.468900      -1.663600     -0.5427000    
 C   0.7661000      0.6333000       1.177800    
 C   0.7789000       1.286000      -1.148400    
 C    2.160800      0.6533000       1.191000    
 C    2.173600       1.306000      -1.135200    
 C   -3.625100      -1.564800     -0.3941000    
 C   -4.612500      0.1463000      0.5827000    
 C    4.791400      -3.107200     -0.1858000    
 C   -4.978100      -1.557500     -0.6398000    
 H   -2.325900      0.4585000       1.877600    
 H   -1.549000     -0.9446000       1.090800    
 H    4.645500     -0.9253000       1.493700    
 H    6.125600     -0.7973000      0.5429000    
 H    3.379800      -1.579300     -0.6193000    
 H    4.885800      -1.445000      -1.533500    
 H   0.2442000      0.3831000       2.097200    
 H   0.2580000       1.530800      -2.070400    
 H    2.677400      0.4138000       2.116900    
 H    2.705100       1.568700      -2.046600    
 H   -2.831300      -2.231600     -0.7007000    
 H    4.358000      -3.378100      0.7823000    
 H    4.383400      -3.785100     -0.9422000    
 H    5.873200      -3.266700     -0.1355000    
 H   -4.720700       1.046900       1.171600    
 H   -5.544500      -2.266300      -1.225900    


%chk=000052764-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052764

0 1
S 4.543281 0.963778 -0.587183
O -2.279655 1.295148 -1.215921
N -3.759701 -0.419197 0.434143
N -5.889271 0.004651 1.097716
C -2.304006 -0.483430 0.469912
C -0.111418 0.573040 -0.445324
C -1.603498 0.537667 -0.466022
C 2.737212 0.734752 -0.489780
C 5.236983 -0.433709 0.487119
C 5.195975 -1.814450 -0.192060
C 0.681003 -0.278700 0.372189
C 0.554157 1.509199 -1.288663
C 2.086970 -0.202728 0.352269
C 1.953069 1.591174 -1.313950
C -4.592635 -0.799981 -0.626967
C -4.591593 0.067169 1.446507
C 5.785076 -2.912594 0.723410
C -5.895346 -0.537414 -0.200176
H -1.973696 -0.302977 1.509779
H -1.962590 -1.502060 0.198959
H 4.707937 -0.422249 1.456440
H 6.277491 -0.113707 0.672331
H 4.155688 -2.071506 -0.466672
H 5.765639 -1.766389 -1.138658
H 0.213225 -1.013823 1.036229
H -0.058417 2.163714 -1.917409
H 2.663780 -0.870958 0.998249
H 2.447058 2.317085 -1.969119
H -4.197629 -1.180672 -1.564647
H 5.210117 -3.006819 1.663909
H 5.766329 -3.894094 0.217038
H 6.835151 -2.691372 0.990728
H -4.205632 0.439328 2.393361
H -6.826554 -0.695375 -0.738837


