%chk=000178512.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178512

0 1
 S   -1.048200      0.6477000      -2.146400    
 O   -3.983200     -0.8800000     -0.3513000    
 O   -4.722900      0.9732000      -1.427700    
 O   -1.590100       1.943400       2.541600    
 N    1.948300      -2.688200      0.1071000    
 N   -2.079000      0.3223000      0.9433000    
 N   0.5846000      -1.088500     -0.9318000    
 N    2.650800     -0.4504000      0.1081000    
 N    3.301000       1.802700      7.5199999E-02
 N    1.276500       1.209000     -0.9482000    
 C    1.040300      -3.744900     -0.2123000    
 C   -2.780000       1.167900      9.7000003E-03
 C   -1.828800       1.825300     -0.9933000    
 C    1.775900      -5.077900     -0.1697000    
 C  -0.1229000      -3.721300      0.7704000    
 C    1.716800      -1.343500     -0.2564000    
 C   0.4315000      0.2084000      -1.244300    
 C   -3.922900      0.4345000     -0.6725000    
 C    2.364000      0.8053000     -0.2717000    
 C   -1.542000      0.7856000       2.134500    
 C    3.127400       3.180700     -0.2628000    
 C    4.289600       3.998700      0.2666000    
 C  -0.8867000     -0.3100000       2.931900    
 H   0.6522000      -3.628400      -1.232100    
 H   -3.254800       1.962100      0.6006000    
 H   -1.062900       2.413500     -0.4766000    
 H   -2.396400       2.527600      -1.614500    
 H    2.776600      -2.870500      0.6622000    
 H    2.188200      -5.276500      0.8262000    
 H    2.610700      -5.085200     -0.8795000    
 H    1.104500      -5.903200     -0.4291000    
 H   0.2270000      -3.816000       1.804800    
 H  -0.6968000      -2.791800      0.7028000    
 H  -0.8135000      -4.547900      0.5721000    
 H   -1.961500     -0.6572000      0.7003000    
 H    4.121500       1.494500      0.5843000    
 H    2.196400       3.566300      0.1687000    
 H    3.071200       3.303300      -1.350600    
 H    4.364200       3.917500       1.356400    
 H    5.238700       3.656600     -0.1600000    
 H    4.161200       5.055100      1.0800000E-02
 H   6.7000002E-02 -0.5757000       2.468200    
 H  -0.7053000      3.5999998E-02   3.953100    
 H   -1.531500      -1.192500       2.970500    
 H   -4.731000      -1.332600     -0.7966000    


%chk=000178512-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178512

0 1
S -1.613670 -0.388316 -1.540965
O -4.610735 0.644043 0.581091
O -4.848115 1.770171 -1.437292
O -0.721380 3.320959 1.174851
N 2.291177 -3.297316 -0.238516
N -2.174643 1.517917 1.061739
N 0.488639 -1.880356 -0.792858
N 2.617660 -0.999643 0.036699
N 2.865053 1.311835 0.270339
N 0.801668 0.516940 -0.565814
C 1.542544 -4.527682 -0.581165
C -2.707879 1.931485 -0.234983
C -1.820804 1.484711 -1.433124
C 2.545144 -5.619080 -1.006302
C 0.646390 -4.982777 0.595217
C 1.786415 -2.029572 -0.331362
C 0.086358 -0.587652 -0.881295
C -4.147698 1.474319 -0.448045
C 2.077174 0.256481 -0.095960
C -1.176756 2.245623 1.681536
C 2.499865 2.736359 0.146417
C 3.223236 3.576613 1.212826
C -0.648919 1.667999 2.988026
H 0.887080 -4.269123 -1.431979
H -2.702861 3.040721 -0.260088
H -0.804370 1.892032 -1.302770
H -2.265353 1.813108 -2.385262
H 3.242636 -3.369800 0.127536
H 3.228753 -5.879263 -0.174238
H 3.152142 -5.290537 -1.868733
H 2.006216 -6.538742 -1.293049
H 1.256925 -5.234299 1.482554
H -0.060183 -4.179334 0.864178
H 0.061994 -5.877305 0.310963
H -2.540314 0.659956 1.476528
H 3.810809 1.063975 0.569447
H 1.408610 2.830829 0.263799
H 2.757415 3.104040 -0.868675
H 2.932816 3.256161 2.229093
H 4.324351 3.502045 1.121457
H 2.945940 4.638814 1.099796
H 0.369913 1.275515 2.817285
H -0.574708 2.473898 3.736618
H -1.275383 0.853838 3.390935
H -5.537451 0.345412 0.375544


