%chk=000226629.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226629

0 1
 S   -3.194800      -2.563000      0.5190000    
 O   -4.303200      -3.213800     -0.1525000    
 O   -2.965200      -2.778900       1.934700    
 O   -4.470800       3.691500      -1.363700    
 O   -3.309000       4.090600      0.4557000    
 N    5.192100      0.7148000      0.1875000    
 N   -1.754500      -2.884200     -0.3311000    
 N  -0.5680000      -2.188100      0.1357000    
 N   -3.825200       3.293000     -0.3641000    
 C    3.975700      4.4300001E-02 -5.7700001E-02
 C    6.141600      0.9289000     -0.8863000    
 C    5.502400       1.210600       1.513700    
 C    3.068300     -0.1571000      0.9824000    
 C    3.680000     -0.4173000      -1.340400    
 C    6.961300     -0.3261000      -1.116900    
 C    4.805300       2.536300       1.752100    
 C    1.569700      -1.281700     -0.5430000    
 C    1.865300     -0.8202000      0.7397000    
 C    2.477000      -1.080300      -1.583100    
 C   -3.381500     -0.8242000      0.2563000    
 C   0.3159000      -1.973600     -0.7958000    
 C   -2.813600      5.9400000E-02   1.157400    
 C   -4.092500     -0.3800000     -0.8448000    
 C   -3.674600       1.896900     -0.1540000    
 C   -2.961400       1.431000      0.9505000    
 C   -4.240100      0.9915000      -1.051600    
 H    5.665900       1.281400      -1.808400    
 H    6.832100       1.738000     -0.6141000    
 H    6.584100       1.376900       1.601900    
 H    5.278500      0.4833000       2.302000    
 H    3.237500      0.1739000       2.000800    
 H    4.338700     -0.2905000      -2.192100    
 H    7.704100     -0.1497000      -1.901600    
 H    6.354500      -1.183400      -1.420700    
 H    7.499300     -0.6126000     -0.2064000    
 H    5.073600       2.929000       2.738200    
 H    3.715300       2.458100       1.711100    
 H    5.108800       3.276900       1.003800    
 H    1.176800     -0.9632000       1.568400    
 H    2.259600      -1.433900      -2.587700    
 H   0.1331000      -2.314600      -1.831100    
 H   -2.249900     -0.2841000       2.019400    
 H   -4.533100      -1.068700      -1.558800    
 H   -1.800000      -3.152100      -1.321800    
 H   -2.505900       2.107100       1.669600    
 H   -4.800700       1.318300      -1.923700    


%chk=000226629-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226629

0 1
S -3.738802 -2.271068 -0.521529
O -3.873921 -2.009741 -2.145805
O -5.061672 -2.571197 0.395398
O -0.148133 3.351974 0.905545
O -1.137032 3.039078 2.936188
N 4.313853 1.038656 -0.258968
N -1.959498 -3.650302 -0.061571
N -0.900072 -2.830724 0.082907
N -0.958737 2.724892 1.697643
C 3.341907 0.051854 -0.332214
C 5.433117 1.105559 -1.227671
C 4.281973 2.102810 0.776101
C 2.207760 0.052762 0.559279
C 3.423172 -1.016599 -1.295197
C 6.649343 0.245117 -0.815169
C 3.418918 3.321751 0.378654
C 1.276118 -1.957711 -0.523767
C 1.218604 -0.922136 0.467043
C 2.421430 -1.987092 -1.380624
C -2.954671 -0.676584 0.164803
C 0.197813 -2.895205 -0.696447
C -3.067861 -0.405443 1.539309
C -2.272343 0.157020 -0.737839
C -1.700263 1.562316 1.153285
C -2.433860 0.746946 2.046367
C -1.624845 1.301508 -0.233519
H 5.071702 0.811657 -2.229401
H 5.738417 2.164881 -1.308063
H 5.326254 2.424799 0.944576
H 3.933659 1.675814 1.733171
H 2.103216 0.836839 1.313322
H 4.279534 -1.086651 -1.970540
H 7.458427 0.342866 -1.561758
H 6.376670 -0.821430 -0.735402
H 7.046128 0.567741 0.163948
H 3.474039 4.096897 1.164191
H 2.357520 3.050770 0.249324
H 3.779817 3.766079 -0.566620
H 0.363553 -0.913939 1.150084
H 2.510676 -2.782733 -2.130767
H 0.306253 -3.693684 -1.459575
H -3.636040 -1.078134 2.189036
H -2.255479 -0.093619 -1.803297
H -1.977839 -4.169839 -0.990911
H -2.479994 1.010434 3.106136
H -1.056309 1.973213 -0.881158


