%chk=000072000.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072000

0 1
 S    2.972700     -0.7241000      -1.968500    
 O    2.180500     -0.7921000       2.343500    
 O    6.793500     -9.7199999E-02  0.5609000    
 O    5.975600      -1.989100     -0.4127000    
 O  -0.7809000      -1.438700       1.636600    
 O  -0.9973000       5.275700      0.5634000    
 O   -6.174500      -1.030300      -1.411700    
 N    3.565000      -1.337300      0.5128000    
 N   0.4786000      -1.311000     -0.3071000    
 N   -3.018600     -0.7384000      0.2326000    
 C    2.936800      -1.985300     -0.6393000    
 C    3.916300      0.5204000     -0.9557000    
 C    4.465500     -0.2322000      0.2771000    
 C    1.644200      -2.054000      0.1904000    
 C    2.439900      -1.314000       1.283100    
 C    2.920700       1.611300     -0.5263000    
 C    5.002900       1.156600      -1.828500    
 C    5.799300     -0.8896000      9.0599999E-02
 C  -0.6526000      -1.063400      0.4725000    
 C   -1.717600     -0.2595000     -0.2571000    
 C   -1.524900       1.223200     -3.7200000E-02
 C   -1.335700       2.051000      -1.131000    
 C   -1.541200       1.724200       1.253900    
 C   -3.935200     -0.6925000     -0.6688000    
 C   -1.157500       3.419500     -0.9281000    
 C   -1.363200       3.092600       1.457000    
 C   -1.171400       3.940400      0.3659000    
 C   -5.296400      -1.120500     -0.3966000    
 C   -5.857600      -1.611200      0.7361000    
 C   -7.212300      -1.852000      0.4047000    
 C   -7.354700      -1.482700     -0.9125000    
 H    3.385500      -2.949600     -0.8936000    
 H    4.486200      0.3992000       1.173200    
 H    1.369900      -3.073500      0.4869000    
 H    3.425800       2.373600      7.8500003E-02
 H    2.483000       2.123400      -1.391500    
 H    2.096800       1.217100      7.7200003E-02
 H    4.569000       1.711400      -2.669000    
 H    5.600000       1.867600      -1.245900    
 H    5.688500      0.4126000      -2.249200    
 H   0.4926000     -0.9458000      -1.256500    
 H   -1.609500     -0.4940000      -1.326500    
 H    7.675800     -0.5103000      0.4473000    
 H   -1.322400       1.657500      -2.143200    
 H   -1.697400       1.080800       2.114500    
 H   -3.743200     -0.3224000      -1.692800    
 H   -1.008300       4.069100      -1.786300    
 H   -1.376500       3.492700       2.467200    
 H   -5.376500      -1.782500       1.688500    
 H  -0.8783000       5.709000     -0.2993000    
 H   -7.987900      -2.245500       1.045700    
 H   -8.185700      -1.480600      -1.602800    


%chk=000072000-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072000

0 1
S 2.181887 -1.526966 -1.466407
O 3.691128 1.732966 1.037686
O 6.886165 -2.018423 -0.786838
O 5.140523 -3.189988 0.208825
O -0.503296 0.557318 2.584820
O -4.313064 5.638469 3.187366
O -3.943370 -1.569325 -2.613579
N 3.819720 -0.638897 0.484422
N 0.671620 0.444764 0.577612
N -2.582300 0.169457 0.294255
C 2.527409 -1.358781 0.409596
C 3.976349 -0.910291 -1.958249
C 4.789114 -0.863922 -0.584318
C 1.849311 -0.146446 1.157158
C 3.234598 0.583689 0.937957
C 3.869835 0.517678 -2.535931
C 4.547215 -1.897048 -2.994423
C 5.573764 -2.148496 -0.322831
C -0.454200 0.745956 1.340426
C -1.640939 1.303528 0.498113
C -2.341997 2.458699 1.201734
C -2.291343 3.759187 0.650741
C -3.057714 2.247596 2.409503
C -2.835353 -0.191521 -0.939303
C -2.934493 4.842908 1.289233
C -3.705011 3.317286 3.053561
C -3.642240 4.614898 2.492924
C -3.747408 -1.279472 -1.237257
C -4.517561 -2.153938 -0.472231
C -5.218444 -3.018550 -1.387296
C -4.847643 -2.637072 -2.670514
H 2.493089 -2.353989 0.868227
H 5.495618 -0.017682 -0.621733
H 1.637495 -0.345302 2.222590
H 4.856564 0.847414 -2.915338
H 3.153894 0.542457 -3.375319
H 3.534224 1.244345 -1.776270
H 3.944729 -1.867224 -3.918789
H 5.585208 -1.617537 -3.254429
H 4.538234 -2.934039 -2.618809
H 0.653054 0.560261 -0.439743
H -1.227445 1.681812 -0.469449
H 7.385142 -2.866630 -0.631391
H -1.743935 3.936870 -0.283252
H -3.091864 1.242901 2.837608
H -2.387648 0.303689 -1.828324
H -2.885135 5.848958 0.852562
H -4.258631 3.171872 3.985709
H -4.559698 -2.156283 0.614408
H -4.203224 6.506497 2.725503
H -5.908507 -3.819852 -1.131081
H -5.106128 -2.984199 -3.667036


