%chk=000056804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056804

0 1
 S    5.268200       1.569700       1.275200    
 S    2.343300       1.616600      0.4755000    
 O   -8.530400     -0.3424000      0.2970000    
 O  -0.3108000       2.077100      -1.085700    
 N    4.198500     -0.1312000     -0.3417000    
 N  -0.8780000     -3.5999998E-02 -0.3156000    
 N   -2.202600      0.2384000     -0.3223000    
 C    6.290500      0.3454000      0.6205000    
 C    5.537800     -0.4745000     -0.2256000    
 C    7.659900      0.1258000      0.8401000    
 C    6.180700      -1.551800     -0.8734000    
 C    3.948700      0.9219000      0.4008000    
 C    8.271900     -0.9470000      0.1869000    
 C    7.543800      -1.776300     -0.6591000    
 C   -4.412900     -0.6403000      0.1291000    
 C    1.447800      0.5063000     -0.6413000    
 C   -7.174100     -0.4404000      0.2418000    
 C   -5.155200      -1.729800      0.5553000    
 C   -5.022700      0.5470000     -0.2419000    
 C   -6.545300      -1.629100      0.6120000    
 C   -6.412700      0.6478000     -0.1850000    
 C   -2.944600     -0.7464000      6.8499997E-02
 C   6.2000002E-03  0.9477000     -0.7155000    
 C   -9.108100      0.9017000     -9.5600002E-02
 H    8.234700      0.7689000       1.499500    
 H    5.621300      -2.205700      -1.536500    
 H    9.331000      -1.134500      0.3433000    
 H    8.036600      -2.605900      -1.158600    
 H    1.525400     -0.5244000     -0.2816000    
 H    1.867700      0.5564000      -1.651300    
 H   -4.676800      -2.660800      0.8461000    
 H   -4.453100       1.408700     -0.5778000    
 H   -7.133100      -2.480100      0.9453000    
 H   -6.836300       1.599700     -0.4867000    
 H   -2.509600      -1.716100      0.3757000    
 H  -0.5801000     -0.9586000     -1.3900000E-02
 H   -8.796000       1.716900      0.5660000    
 H   -10.19340      0.8019000      1.0300000E-02
 H   -8.908800       1.123000      -1.149700    


%chk=000056804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056804

0 1
S 4.768497 1.530060 0.728785
S 3.029392 3.304359 -1.161431
O -6.406870 -1.619737 1.383722
O -0.418245 3.511621 -2.732108
N 2.743601 0.561577 -0.755954
N 0.157253 1.524600 -1.583832
N -1.143224 1.228866 -1.201580
C 4.365361 -0.241998 0.816737
C 3.272947 -0.546491 -0.057066
C 4.987200 -1.234445 1.596372
C 2.801396 -1.876527 -0.153613
C 3.385539 1.683775 -0.479539
C 4.503382 -2.558803 1.489415
C 3.423375 -2.874801 0.622692
C -2.639496 -0.267799 -0.015543
C 1.923823 2.818679 -2.648256
C -5.197523 -1.114417 0.888976
C -2.781781 -1.442644 0.778285
C -3.808139 0.473946 -0.344589
C -4.042967 -1.865175 1.227616
C -5.077638 0.061398 0.099076
C -1.309049 0.143297 -0.469592
C 0.427996 2.672283 -2.323310
C -7.634693 -0.884734 1.064587
H 5.820567 -0.999139 2.264903
H 1.975025 -2.111698 -0.831532
H 4.972265 -3.349978 2.083535
H 3.070443 -3.909120 0.555932
H 2.361687 1.897139 -3.066656
H 2.046151 3.658458 -3.347494
H -1.892064 -2.026824 1.045397
H -3.696115 1.376700 -0.953751
H -4.163204 -2.765059 1.838009
H -5.958644 0.651709 -0.169776
H -0.460349 -0.501787 -0.161671
H 0.978225 0.938521 -1.289730
H -7.606379 0.142919 1.475428
H -8.442484 -1.454830 1.546091
H -7.805864 -0.844297 -0.028435


