%chk=000155933.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155933

0 1
 S    2.121500     -2.0700000E-02  -1.701000    
 O    2.935000       1.039000      -2.277300    
 O    1.821000      -1.209500      -2.483400    
 O  -0.5702000      -1.311500     -0.9140000    
 O    3.719100       2.536100       1.391000    
 O    2.740700       2.178900     -0.5414000    
 N   0.6535000      0.6524000      -1.130000    
 N   -1.575200      0.7462000     -0.4573000    
 N    3.267100       1.760200      0.5164000    
 N   -3.714300       1.400400      0.2269000    
 N   -3.175000     -0.9241000     -0.1094000    
 C    2.867300     -0.5526000     -0.2072000    
 C    3.354700      0.3566000      0.7314000    
 C    2.966800      -1.923100      3.2600001E-02
 C    3.941600     -0.1043000       1.909800    
 C    3.553600      -2.384300       1.211200    
 C    4.040900      -1.474900       2.149600    
 C  -0.5370000     -8.9900002E-02 -0.8303000    
 C   -2.893700      0.3880000     -9.2900001E-02
 C   -4.963900       1.022800      0.5683000    
 C   -4.440900      -1.230300      0.2423000    
 C   -5.387700     -0.2900000      0.5943000    
 C   -5.917100       2.111300      0.9313000    
 C   -4.807700      -2.676400      0.2390000    
 H    2.595400      -2.659700     -0.6735000    
 H   0.6049000       1.677300      -1.070700    
 H    4.333500      0.5703000       2.666800    
 H    3.630300      -3.451400       1.398800    
 H    4.497400      -1.834500       3.067200    
 H   -1.387100       1.744700     -0.4370000    
 H   -6.398000     -0.5647000      0.8721000    
 H   -5.436900       3.093200      0.8655000    
 H   -6.774700       2.109000      0.2512000    
 H   -6.273900       1.978500       1.957700    
 H   -5.623300      -2.861100     -0.4674000    
 H   -3.956200      -3.297200     -5.8800001E-02
 H   -5.121700      -2.992000       1.239100    


%chk=000155933-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155933

0 1
S 2.227642 0.717529 -1.610517
O 3.127860 2.058736 -1.661469
O 2.099298 -0.219699 -2.918747
O -0.254672 -0.894379 -0.820628
O 3.824947 1.679601 2.602760
O 2.204332 2.064408 1.049206
N 0.549119 1.289918 -1.165988
N -1.715844 0.993364 -0.841683
N 3.097106 1.318564 1.605303
N -4.005144 1.274138 -0.633781
N -2.892472 -0.563136 0.539513
C 2.826407 -0.463409 -0.196448
C 3.265997 -0.060989 1.082793
C 2.926525 -1.799122 -0.608332
C 3.837374 -1.013079 1.957751
C 3.480061 -2.753830 0.275491
C 3.942884 -2.357940 1.550672
C -0.471774 0.335876 -0.913807
C -2.916681 0.517467 -0.283237
C -5.208119 0.882179 -0.112432
C -4.103804 -0.958707 1.047080
C -5.292593 -0.253665 0.733319
C -6.421128 1.704009 -0.480061
C -4.099138 -2.165673 1.955615
H 2.574455 -2.072213 -1.608325
H 0.572289 2.210253 -0.709606
H 4.176479 -0.677795 2.941847
H 3.548563 -3.800031 -0.037662
H 4.378107 -3.095741 2.231681
H -1.824235 1.877836 -1.346224
H -6.255007 -0.573171 1.142834
H -6.125666 2.533444 -1.140157
H -7.174665 1.085200 -1.001281
H -6.906888 2.119945 0.421837
H -4.744161 -2.967450 1.551146
H -3.072800 -2.550031 2.052644
H -4.484855 -1.909709 2.959793


