%chk=000226974.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226974

0 1
 S   -1.334800      -2.137400      0.2621000    
 O   -2.161600      -3.062400     -0.5018000    
 O   -1.074400      -2.404700       1.671000    
 O    4.347400      7.2300002E-02 -0.9384000    
 N   0.1627000      -1.952300     -0.5379000    
 N    1.059600     -0.9585000      2.6500000E-02
 N   -3.722900       3.284500     -0.2470000    
 C   -2.035800     -0.5453000      0.1126000    
 C   -2.832400     -0.2347000     -0.9895000    
 C   -1.799200      0.4162000       1.095200    
 C   -3.155800       1.998500     -0.1269000    
 C   -3.392200       1.037300      -1.109300    
 C   -2.359200       1.688100      0.9754000    
 C    3.217600      6.8499997E-02 -0.2081000    
 C    2.185100     -0.8725000     -0.6046000    
 C    3.246600      0.9744000      0.8008000    
 C    4.508800       1.606000      0.6967000    
 C    5.140500       1.022200     -0.3766000    
 H   -3.024200     -0.9653000      -1.770400    
 H   -1.177800      0.1979000       1.959200    
 H   -4.009900       1.267700      -1.973700    
 H   -2.166600       2.429100       1.747000    
 H   0.2494000      -2.173100      -1.537300    
 H    2.407300      -1.513400      -1.477100    
 H   -4.299200       3.510800      -1.046700    
 H   -3.550300       3.982300      0.4644000    
 H    2.473200       1.173400       1.529000    
 H    4.908100       2.388900       1.325000    
 H    6.104200       1.162700     -0.8440000    


%chk=000226974-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226974

0 1
S -1.254087 -1.943761 0.224066
O -2.040584 -3.116671 -0.587023
O -0.750359 -2.139224 1.758998
O 4.802301 -0.253864 -0.756642
N 0.262471 -1.636613 -0.980640
N 1.217578 -0.837601 -0.427336
N -4.283580 3.268211 -0.147734
C -2.171732 -0.340745 0.101322
C -3.045706 -0.146165 -0.984603
C -1.977850 0.622147 1.108696
C -3.584022 2.071734 -0.064086
C -3.754627 1.063164 -1.063418
C -2.689515 1.830003 1.024180
C 3.483318 -0.052258 -0.272746
C 2.483868 -0.951284 -0.797120
C 3.487249 1.008808 0.634856
C 4.844237 1.484901 0.728225
C 5.611765 0.701950 -0.123508
H -3.177647 -0.931171 -1.735956
H -1.298362 0.416790 1.941658
H -4.444730 1.234623 -1.897371
H -2.556619 2.594288 1.798411
H 0.524709 -2.585324 -1.338797
H 2.834543 -1.699908 -1.531176
H -4.923907 3.446974 -0.916183
H -4.170365 3.990410 0.558032
H 2.612817 1.383333 1.161446
H 5.207942 2.302252 1.347812
H 6.665091 0.676202 -0.387762


