%chk=000226977.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226977

0 1
 S  -0.6602000       2.084500      0.1130000    
 O   -1.268100       3.113200     -0.7088000    
 O  -0.3180000       2.358500       1.495700    
 N    1.922600       1.425300      7.5900003E-02
 N   0.6956000       1.451100     -0.6960000    
 N   -4.273000      -2.637900      8.8600002E-02
 C    3.801900      -2.223400     -0.1176000    
 C    4.092800      -1.202000      0.9837000    
 C    2.434000      -1.980000     -0.7585000    
 C    4.002900      0.2282000      0.4649000    
 C    2.311300     -0.5639000      -1.309900    
 C    2.680700      0.4252000     -0.2320000    
 C   -1.733700      0.6806000      0.1059000    
 C   -1.682000     -0.2157000       1.159500    
 C   -2.606900      0.5030000     -0.9534000    
 C   -2.529500      -1.323700       1.153700    
 C   -3.454600     -0.6048000     -0.9591000    
 C   -3.415800      -1.518100      9.4400004E-02
 H    4.583200      -2.169100     -0.8856000    
 H    3.834100      -3.234700      0.3031000    
 H    5.090300      -1.381600       1.399800    
 H    3.372800      -1.340800       1.800000    
 H    1.649900      -2.150200     -9.8999999E-03
 H    2.273600      -2.704700      -1.564500    
 H    4.801700      0.4259000     -0.2584000    
 H    4.105100      0.9414000       1.289100    
 H    1.310600     -0.4489000      -1.727600    
 H    3.019800     -0.4245000      -2.135500    
 H   0.8302000       1.752200      -1.670600    
 H  -0.9932000     -8.6300001E-02   1.988600    
 H   -2.646500       1.198800      -1.785800    
 H   -2.488400      -2.029400       1.979500    
 H   -4.139700     -0.7463000      -1.791100    
 H   -4.244800      -3.301000      0.8517000    
 H   -4.915300      -2.779800     -0.6796000    


%chk=000226977-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226977

0 1
S -0.910178 1.923966 -0.676632
O -1.365392 2.543268 -2.114237
O -0.541200 2.879645 0.589076
N 1.292608 0.367176 -0.098797
N 0.611014 0.823605 -1.215190
N -4.947539 -2.173390 1.177427
C 4.766715 -1.957026 -0.347711
C 3.808970 -1.971102 0.866410
C 4.043321 -1.469257 -1.624416
C 3.180881 -0.568786 1.097517
C 3.410283 -0.060244 -1.423433
C 2.545179 -0.033447 -0.170607
C -2.130237 0.649020 -0.111017
C -2.234937 0.383633 1.266469
C -2.929746 0.007365 -1.074830
C -3.180878 -0.562245 1.695815
C -3.874410 -0.936756 -0.640116
C -4.011932 -1.238509 0.750493
H 5.624519 -1.286475 -0.131429
H 5.185677 -2.967643 -0.516502
H 4.346133 -2.291577 1.779318
H 2.999409 -2.706929 0.688559
H 3.242949 -2.187938 -1.890030
H 4.746444 -1.434578 -2.478275
H 3.985204 0.127970 1.417068
H 2.422841 -0.591129 1.898586
H 2.836120 0.216089 -2.327258
H 4.228151 0.681310 -1.307915
H 1.119579 1.442783 -1.887418
H -1.599875 0.920504 1.977780
H -2.824190 0.259547 -2.134783
H -3.282017 -0.783535 2.764535
H -4.512932 -1.444142 -1.372404
H -5.058031 -2.388399 2.164250
H -5.549101 -2.651671 0.512898


