%chk=000044966.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044966

0 1
 S   0.9557000      -1.203100      0.1352000    
 O   0.3888000      -1.836200       1.313700    
 O    1.277100      0.2138000      0.1388000    
 O    5.130000       1.278200      0.5125000    
 O    5.612800     -0.5763000     -0.7535000    
 O   -6.289000     -0.3401000       1.077600    
 N    3.946200     -0.6047000      0.8615000    
 N   -5.005800       1.247300     -0.1022000    
 C  -0.1573000      -1.497500      -1.220000    
 C    2.406400      -2.096900     -0.3277000    
 C   -1.435600     -0.7749000     -0.9255000    
 C    3.515800      -1.966500      0.6982000    
 C   -1.605100      0.5428000      -1.350900    
 C   -2.456200      -1.418600     -0.2257000    
 C   -3.815600      0.5729000     -0.3765000    
 C   -2.795000       1.216600      -1.076400    
 C   -3.646100     -0.7447000      4.8900001E-02
 C    4.959000     -2.0500001E-02  0.1230000    
 C   -6.132300      0.7709000      0.5815000    
 C    6.153700       2.006500     -0.1748000    
 C   -7.216900       1.815200      0.6680000    
 C    6.209400       3.416000      0.3746000    
 H   0.3102000      -1.131800      -2.139300    
 H  -0.3155000      -2.576400      -1.311400    
 H    2.120800      -3.147200     -0.4420000    
 H    2.728500      -1.710300      -1.300300    
 H    4.373100      -2.576300      0.3935000    
 H    3.181800      -2.318300       1.679800    
 H  -0.8181000       1.055400      -1.897700    
 H   -2.335900      -2.445300      0.1100000    
 H    3.476200     -3.3199999E-02   1.557100    
 H   -2.913400       2.243200      -1.414000    
 H   -4.390000      -1.308400      0.5944000    
 H   -5.051800       2.204400     -0.4459000    
 H    5.924200       2.035400      -1.245800    
 H    7.119000       1.511200     -2.2200000E-02
 H   -7.513400       2.126700     -0.3376000    
 H   -6.851600       2.681500       1.226600    
 H   -8.089000       1.402100       1.182500    
 H    5.244900       3.918100      0.2458000    
 H    6.419900       3.402800       1.449100    
 H    6.982900       4.002100     -0.1296000    


%chk=000044966-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044966

0 1
S 0.884188 -1.875516 0.806787
O -0.119227 -3.088142 1.245688
O 1.165516 -0.625198 1.849605
O 4.781567 1.322541 0.019711
O 5.824233 -0.758301 -0.375590
O -6.469347 -0.301345 -0.607160
N 3.851167 -0.563499 0.886024
N -4.922885 1.340507 0.052576
C 0.207634 -1.040148 -0.935945
C 2.634213 -2.677077 0.363495
C -1.119050 -0.436825 -0.702955
C 3.728370 -1.989368 1.185983
C -1.234727 0.889611 -0.199809
C -2.308574 -1.180342 -0.934417
C -3.681421 0.704194 -0.212776
C -2.496507 1.453095 0.038898
C -3.580280 -0.627004 -0.704203
C 4.897800 -0.073423 0.138609
C -6.220774 0.845436 -0.136128
C 5.879922 1.984558 -0.739819
C -7.332504 1.806573 0.278069
C 5.562511 3.476726 -0.751857
H 1.029155 -0.335785 -1.136453
H 0.218471 -1.913170 -1.605947
H 2.477600 -3.738262 0.615030
H 2.757590 -2.523896 -0.720964
H 4.693552 -2.470099 0.939047
H 3.533271 -2.125154 2.264129
H -0.330804 1.469841 0.013892
H -2.236055 -2.212000 -1.296720
H 3.135907 0.058195 1.278479
H -2.569507 2.476602 0.428099
H -4.490876 -1.198005 -0.890070
H -4.855564 2.285616 0.437017
H 5.917776 1.552538 -1.756483
H 6.839128 1.762985 -0.237622
H -6.972035 2.783195 0.645190
H -7.937602 1.331911 1.069767
H -7.999736 1.974275 -0.584562
H 4.595684 3.671013 -1.247303
H 5.513831 3.876678 0.275365
H 6.351187 4.022370 -1.301376


