%chk=000062302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062302

0 1
 S    7.155400       1.761500     -0.4229000    
 S   -6.966800       1.996900     -0.7957000    
 O   0.9443000      0.2702000       2.146700    
 O   -1.104100      -4.079100      0.2029000    
 O    6.867600       2.950900      -1.507300    
 O  -0.2022000      -3.803000      -1.880500    
 O    7.518700       2.408100      0.8297000    
 O    8.045600      0.7918000      -1.042300    
 O   -8.217300       1.605600      0.1822000    
 O   -6.691000       3.410900     -0.5864000    
 O   -7.258200       1.487500      -2.126800    
 N    1.930300     -0.9350000      0.3549000    
 N    1.580700      -1.989300     -0.4658000    
 N   -1.324100     -0.8631000      0.5776000    
 N   -2.343200      -1.097300       1.268500    
 C  -0.1643000      -1.599100       1.047400    
 C   0.9421000     -0.6135000       1.306000    
 C    3.151200     -0.3053000      0.1732000    
 C   0.4063000      -2.367800     -8.6000003E-02
 C    3.516200      0.7764000      0.9830000    
 C    4.032200     -0.7440000     -0.8223000    
 C    5.617500      0.9676000     -0.1941000    
 C    4.745000       1.410700      0.8000000    
 C    5.261100     -0.1099000      -1.005300    
 C  -0.3183000      -3.489000     -0.7164000    
 C   -3.438200     -0.3650000      0.7800000    
 C   -5.607000       1.086200     -0.1883000    
 C   -4.262800     -0.9215000     -0.1930000    
 C   -3.690200      0.9122000       1.272300    
 C   -5.349600     -0.1942000     -0.6783000    
 C   -4.777100       1.639400      0.7871000    
 H  -0.3224000      -2.231500       1.927000    
 H    2.895700       1.178500       1.771900    
 H    3.791200      -1.578500      -1.475600    
 H    4.999600       2.252400       1.438000    
 H    5.920900     -0.4675000      -1.790800    
 H   -4.070500      -1.919300     -0.5785000    
 H   -3.049900       1.349700       2.033600    
 H   -5.986200     -0.6489000      -1.432100    
 H   -4.962200       2.631800       1.188400    
 H   -1.609000      -4.832500     -0.1708000    
 H    6.221200       3.637800      -1.219700    
 H   -8.102500       1.845500       1.131800    


%chk=000062302-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000062302

0 1
S 7.419749 1.816806 0.339184
S -7.621241 1.677818 -0.218999
O 0.802450 -0.053679 2.048739
O -1.224219 -3.794775 -1.210898
O 6.944956 3.245753 -0.750298
O 0.596007 -3.799248 -2.680073
O 7.714580 2.377188 1.827709
O 8.516960 0.917908 -0.438471
O -7.264110 3.125916 0.884700
O -7.693352 2.193403 -1.750019
O -8.828042 0.813837 0.422880
N 2.016160 -0.934657 0.173232
N 1.786145 -1.870348 -0.854599
N -1.380176 -0.978464 0.058743
N -2.386069 -1.219876 0.838874
C -0.176554 -1.765421 0.476806
C 0.893589 -0.795423 1.050605
C 3.283209 -0.274584 0.222401
C 0.560653 -2.351221 -0.707337
C 3.556125 0.673765 1.244011
C 4.255818 -0.592461 -0.762554
C 5.748812 0.984274 0.283551
C 4.810040 1.315941 1.271275
C 5.507747 0.048240 -0.735127
C 0.037562 -3.365629 -1.652136
C -3.580661 -0.476504 0.518467
C -5.981410 0.820412 0.093917
C -4.691203 -0.768437 1.349449
C -3.682730 0.474555 -0.534929
C -5.921398 -0.110524 1.141651
C -4.903223 1.138161 -0.753027
H -0.450702 -2.520395 1.239477
H 2.803668 0.906521 1.999261
H 4.021846 -1.327585 -1.534852
H 5.052298 2.043625 2.051613
H 6.278756 -0.184992 -1.475530
H -4.568837 -1.505363 2.148589
H -2.808413 0.678623 -1.159259
H -6.801109 -0.320531 1.757031
H -5.026549 1.867586 -1.559523
H -1.587647 -4.470444 -1.844546
H 7.749182 3.835352 -0.844807
H -8.052970 3.742175 0.848117


