%chk=000052176.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052176

0 1
 S    1.498100      -2.199700      -1.163200    
 O   -2.107600     -0.2340000       1.880800    
 O    1.857800       1.978400       1.760200    
 N  -0.5021000      -1.011500      0.3478000    
 N    1.606000      0.1658000      0.2822000    
 C  -0.3374000       1.225600       1.318000    
 C  -0.8907000       2.158100      0.2413000    
 C   -2.376900       2.442900      0.4569000    
 C   -2.918600       3.403300     -0.6033000    
 C   -1.059300     -8.4399998E-02   1.248600    
 C    1.151900       1.149600       1.180900    
 C   -4.412400       3.661800     -0.4079000    
 C   0.8353000     -0.9584000     -0.1894000    
 C   -1.367300      -2.113700      1.5200000E-02
 C    2.980700      0.3149000     -0.1205000    
 C   -4.961800       4.589800      -1.479700    
 C   -2.225200      -2.004200      -1.069300    
 C    3.978900     -0.3033000      0.6182000    
 C   -1.327900      -3.267300      0.7843000    
 C    3.284200       1.073700      -1.241400    
 C   -3.062500      -3.072300      -1.391900    
 C    5.310200     -0.1595000      0.2273000    
 C   -2.165000      -4.335500      0.4617000    
 C    4.615400       1.217300      -1.632500    
 C   -3.032300      -4.237900     -0.6264000    
 C    5.628400      0.6007000     -0.8980000    
 H  -0.5348000       1.643900       2.314700    
 H  -0.7444000       1.724400     -0.7568000    
 H  -0.3353000       3.104900      0.2506000    
 H   -2.961900       1.519700      0.3955000    
 H   -2.534800       2.868700       1.455000    
 H   -2.371200       4.352400     -0.5551000    
 H   -2.747400       2.981800      -1.601400    
 H   -4.962600       2.714100     -0.4392000    
 H   -4.587300       4.106200      0.5788000    
 H   -4.454000       5.559300      -1.456900    
 H   -6.030700       4.762200      -1.320100    
 H   -4.832700       4.157300      -2.477000    
 H   -2.255600      -1.099100      -1.669800    
 H    3.740700     -0.8955000       1.497400    
 H  -0.6573000      -3.351500       1.635100    
 H    2.501000       1.557700      -1.818500    
 H   -3.738000      -2.996200      -2.239000    
 H    6.099000     -0.6392000      0.7995000    
 H   -2.141800      -5.242900       1.058100    
 H    4.863200       1.809400      -2.508500    
 H   -3.684200      -5.069500     -0.8775000    
 H    6.664900      0.7127000      -1.202300    


%chk=000052176-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052176

0 1
S 1.421554 -2.020275 -1.392079
O -2.170708 -0.368627 1.779756
O 1.850385 2.067384 1.576644
N -0.492660 -1.044037 0.291235
N 1.579380 0.169111 0.230882
C -0.421266 1.250075 1.259647
C -1.026211 2.230525 0.183229
C -2.497556 2.608283 0.455210
C -3.061346 3.551846 -0.632196
C -1.100657 -0.102336 1.178509
C 1.085477 1.203695 1.080607
C -4.522852 3.975550 -0.358602
C 0.807454 -0.914937 -0.254837
C -1.269351 -2.247726 -0.015868
C 2.995697 0.245769 -0.136991
C -5.089645 4.911131 -1.447985
C -2.206745 -2.211595 -1.067738
C 3.947710 -0.461547 0.624678
C -1.102268 -3.402497 0.774774
C 3.385473 1.065971 -1.214697
C -2.979949 -3.360203 -1.342928
C 5.314691 -0.357540 0.288963
C -1.878445 -4.547780 0.495072
C 4.754062 1.165870 -1.545707
C -2.815666 -4.529169 -0.564175
C 5.719367 0.453545 -0.796831
H -0.630173 1.677732 2.254920
H -0.927496 1.777432 -0.824005
H -0.400415 3.143688 0.195186
H -3.123898 1.698281 0.519900
H -2.568140 3.103633 1.444866
H -2.426166 4.459361 -0.705135
H -3.006428 3.051948 -1.622210
H -5.156293 3.068950 -0.279238
H -4.576553 4.478933 0.627998
H -4.490738 5.838169 -1.525893
H -6.133335 5.201160 -1.227875
H -5.077721 4.419901 -2.439378
H -2.319340 -1.302353 -1.667419
H 3.621337 -1.085158 1.463324
H -0.374621 -3.402857 1.592734
H 2.628264 1.610159 -1.788700
H -3.706285 -3.343085 -2.162460
H 6.060882 -0.905366 0.874206
H -1.753970 -5.450001 1.103276
H 5.065361 1.797127 -2.384828
H -3.416367 -5.419596 -0.779565
H 6.780871 0.532454 -1.055779


