%chk=000133820.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133820

0 1
 S   -3.465300       1.027700      0.4760000    
 O   -4.346500       1.040800       1.628400    
 O   -3.819200       1.765200     -0.7221000    
 N    2.044700       1.699400     -0.5640000    
 N   -1.876800       1.462600      0.9683000    
 C    1.491900      0.3226000     -0.4766000    
 C  -0.7865000       1.360600     -3.0800000E-02
 C   0.2616000      0.3595000      0.4594000    
 C  -0.1666000       2.734400     -0.2534000    
 C    1.071700       2.635700      -1.140900    
 C    3.293700       1.713100      -1.329600    
 C    2.534000     -0.7061000     -3.6400001E-02
 C    4.367500      0.9667000     -0.5416000    
 C    3.907300     -0.3964000     -9.7800002E-02
 C    2.160800      -2.004500      0.3494000    
 C   -1.435800       1.053000       2.325800    
 C   -3.228100     -0.6728000      5.2000000E-03
 C    4.863500      -1.347100      0.2911000    
 C    3.119600      -2.948900      0.7224000    
 C   -4.525900      -1.299400     -0.4806000    
 C    4.469900      -2.618000      0.7012000    
 C   -4.324700      -2.763900     -0.8651000    
 C   -5.610500      -3.384300      -1.388100    
 H    1.161600      6.3999998E-03  -1.477400    
 H   -1.178100       1.018000     -0.9952000    
 H  -0.2029000     -0.6311000      0.5169000    
 H   0.6703000      0.5895000       1.449400    
 H   0.1086000       3.189700      0.7075000    
 H  -0.9001000       3.407500     -0.7140000    
 H   0.7863000       2.331500      -2.156200    
 H    1.512500       3.637500      -1.213800    
 H    3.644100       2.740900      -1.485400    
 H    3.153600       1.263200      -2.321600    
 H    4.644900       1.544000      0.3496000    
 H    5.261400      0.8723000      -1.169800    
 H    1.118300      -2.309100      0.3563000    
 H   -1.266100     -2.2500001E-02   2.418200    
 H   -2.224200       1.310700       3.042700    
 H  -0.5722000       1.637300       2.658300    
 H   -2.851100      -1.208600      0.8816000    
 H   -2.482800     -0.7147000     -0.7923000    
 H    5.922200      -1.100800      0.2675000    
 H    2.809200      -3.944900       1.025100    
 H   -5.291800      -1.227500      0.3011000    
 H   -4.906700     -0.7408000      -1.344400    
 H    5.215400      -3.351200      0.9939000    
 H   -3.977200      -3.333000      4.9000001E-03
 H   -3.549400      -2.843900      -1.636100    
 H   -5.965800      -2.858100      -2.279900    
 H   -5.444000      -4.432300      -1.655900    
 H   -6.399700      -3.348400     -0.6303000    


%chk=000133820-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133820

0 1
S -3.303125 0.856634 -0.278923
O -4.648468 1.345921 0.496196
O -3.067406 1.138007 -1.866338
N 2.307263 1.872680 -0.278023
N -1.894274 1.690136 0.591228
C 1.651853 0.582198 -0.613666
C -0.602988 1.670838 -0.137156
C 0.333778 0.483138 0.205232
C 0.129536 3.014583 0.089657
C 1.466315 3.022404 -0.679778
C 3.706328 1.956288 -0.750535
C 2.576695 -0.619814 -0.384145
C 4.554599 0.940318 0.032123
C 3.953373 -0.453656 -0.068095
C 2.062325 -1.933650 -0.533301
C -1.960521 1.581646 2.058049
C -3.224446 -1.093257 -0.043463
C 4.766085 -1.599680 0.123342
C 2.876903 -3.068379 -0.341637
C -4.562874 -1.709910 -0.446064
C 4.239613 -2.901731 -0.001356
C -4.560447 -3.245729 -0.223647
C -5.912191 -3.880699 -0.616381
H 1.362645 0.575368 -1.702929
H -0.871760 1.614411 -1.212762
H -0.176895 -0.471957 -0.020639
H 0.601688 0.486441 1.278197
H 0.342322 3.154390 1.166038
H -0.517495 3.843119 -0.249213
H 1.257925 3.015414 -1.782007
H 2.017744 3.953869 -0.454903
H 4.071799 2.982889 -0.565321
H 3.795317 1.762019 -1.849673
H 4.591754 1.260549 1.091697
H 5.594363 0.932382 -0.347424
H 1.011660 -2.075836 -0.813581
H -1.512112 0.654461 2.475994
H -3.018557 1.652426 2.364690
H -1.432721 2.448775 2.493738
H -2.984219 -1.224937 1.025512
H -2.379030 -1.382623 -0.688709
H 5.827808 -1.461850 0.364048
H 2.456260 -4.072877 -0.462541
H -5.373652 -1.248265 0.148506
H -4.770512 -1.489952 -1.510627
H 4.883842 -3.775073 0.149461
H -4.341813 -3.464760 0.840920
H -3.746168 -3.707467 -0.817278
H -6.141557 -3.698271 -1.682569
H -5.901520 -4.973646 -0.453971
H -6.738444 -3.455784 -0.017076


