%chk=000100334.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100334

0 1
 S   -3.183600     -1.8500000E-02   1.575500    
 O   0.9299000       1.720200     -0.1483000    
 O   -1.161700       2.624800     -2.9200001E-02
 N    5.380400     -0.1341000     -0.3513000    
 N   -3.257400     -2.7400000E-02  -1.002600    
 C    3.983700     -0.3166000     -0.2789000    
 C    6.269500      -1.278400     -0.3808000    
 C    5.944100       1.199900     -0.4113000    
 C    1.211400     -0.6923000     -0.1337000    
 C    1.760500      0.5841000     -0.1777000    
 C    3.136800      0.7890000     -0.2501000    
 C    3.450500      -1.606700     -0.2351000    
 C    2.067400      -1.796100     -0.1630000    
 C  -0.2338000     -0.8334000     -6.1900001E-02
 C   -1.028000      0.2474000     -3.2400001E-02
 C    6.482700      -1.810400       1.023400    
 C    6.195800       1.723900      0.9894000    
 C   -2.446400      7.2400004E-02  3.0600000E-02
 C  -0.4572000       1.621200     -6.9899999E-02
 C   -4.724800     -0.2078000      0.8259000    
 C   -4.563200     -0.1879000     -0.5628000    
 C   -5.985900     -0.3627000       1.423500    
 C   -5.706000     -0.3283000      -1.379800    
 C   -7.100400     -0.4995000      0.5922000    
 C   -6.964500     -0.4828000     -0.7916000    
 H    5.925300      -2.061400      -1.065900    
 H    7.249400     -0.9852000     -0.7790000    
 H    6.909900       1.168800     -0.9326000    
 H    5.353600       1.900200      -1.010700    
 H    3.483500       1.815500     -0.2612000    
 H    4.055100      -2.506800     -0.2554000    
 H    1.671600      -2.808200     -0.1307000    
 H  -0.6410000      -1.840400     -3.7599999E-02
 H    6.988900      -1.078400       1.658500    
 H    5.550700      -2.087600       1.523500    
 H    7.117600      -2.702100      0.9886000    
 H    5.288700       1.715000       1.601800    
 H    6.958500       1.137200       1.508600    
 H    6.558100       2.756200      0.9414000    
 H   -6.099600     -0.3767000       2.503100    
 H   -5.611200     -0.3167000      -2.461900    
 H   -8.085800     -0.6206000       1.034500    
 H   -7.842600     -0.5907000      -1.422300    


%chk=000100334-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100334

0 1
S -3.635042 1.734036 0.603822
O 1.015665 1.809681 0.416487
O -1.010069 2.811371 0.813949
N 5.422480 -0.034061 -0.387493
N -3.126405 -0.798968 -0.192945
C 4.040104 -0.195066 -0.333896
C 6.315915 -1.167152 -0.724268
C 6.052523 1.254644 -0.014785
C 1.168460 -0.529452 -0.303924
C 1.794659 0.708725 0.045046
C 3.181974 0.886679 0.041779
C 3.420661 -1.456761 -0.675339
C 2.035054 -1.606262 -0.663017
C -0.254407 -0.610589 -0.264521
C -1.052148 0.478500 0.102587
C 6.575728 -2.147890 0.444331
C 6.202171 1.478071 1.509046
C -2.506169 0.332703 0.124017
C -0.435216 1.758567 0.466068
C -5.008967 0.589110 0.318025
C -4.520410 -0.695272 -0.096717
C -6.389186 0.836510 0.458314
C -5.436609 -1.741217 -0.373079
C -7.288629 -0.216548 0.179276
C -6.814782 -1.493724 -0.232727
H 5.901553 -1.713104 -1.592638
H 7.276462 -0.738552 -1.061976
H 7.049654 1.284717 -0.489742
H 5.472253 2.082637 -0.463642
H 3.566572 1.865229 0.333518
H 4.036961 -2.315054 -0.951054
H 1.592022 -2.572256 -0.931168
H -0.763551 -1.544870 -0.526027
H 7.072470 -1.638672 1.288298
H 5.634359 -2.585894 0.818939
H 7.230111 -2.973201 0.107970
H 5.225174 1.436435 2.020374
H 6.857009 0.713229 1.961621
H 6.648356 2.470687 1.703336
H -6.761754 1.815787 0.774546
H -5.054917 -2.716767 -0.688775
H -8.365686 -0.045023 0.282077
H -7.533901 -2.292862 -0.442887


