%chk=000064919.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064919

0 1
 S   -2.372700       1.927900     -0.8251000    
 O   -3.246300       1.802900      0.3260000    
 O   -2.689400       2.868500      -1.882700    
 O  -0.1966000      -1.597800      -2.397400    
 N   -2.120900      0.3955000      -1.512500    
 N   0.7551000     -0.9356000     -0.3570000    
 N    6.682900      -1.230000       1.218500    
 N    4.892000     -0.5104000       2.535900    
 C   -1.623700     -0.7184000     -0.6700000    
 C   -2.635900      -1.867800     -0.7042000    
 C   -3.825800      -1.632800      0.1939000    
 C  -0.2819000      -1.131200      -1.264600    
 C  -0.7552000       2.335600     -0.2402000    
 C   -4.943300     -0.9879000     -0.3129000    
 C   -3.780500      -2.066200       1.509700    
 C  -0.3911000       1.974900       1.045500    
 C   0.1166000       3.009200      -1.078000    
 C    2.131600      -1.201100     -0.5476000    
 C    1.776300       2.976800      0.6772000    
 C   0.8847000       2.298100       1.507800    
 C    1.392200       3.332400     -0.6157000    
 C   -6.043000     -0.7709000      0.5172000    
 C   -4.880200      -1.849100       2.339800    
 C   -6.011600      -1.201400       1.843700    
 C    3.018900     -0.9621000      0.4888000    
 C    2.563400      -1.695800      -1.767400    
 C    4.375700      -1.224900      0.3003000    
 C    3.140500       3.321800       1.171700    
 C    3.920200      -1.958500      -1.955900    
 C    4.826500      -1.723100     -0.9220000    
 C    5.321300     -0.9784000       1.377200    
 H   -1.503700     -0.4024000      0.3684000    
 H   -2.981700      -2.054100      -1.730400    
 H   -2.144600      -2.801600     -0.3974000    
 H   -2.072800      0.2800000      -2.531900    
 H   0.5186000     -0.5768000      0.5643000    
 H   -4.979100     -0.6495000      -1.344400    
 H   -2.902900      -2.568800       1.906200    
 H   -1.070700       1.453100       1.711800    
 H  -0.1600000       3.286900      -2.090400    
 H    1.172900       2.013800       2.516400    
 H    2.079600       3.857600      -1.273500    
 H   -6.923700     -0.2663000      0.1309000    
 H   -4.855200      -2.183600       3.372900    
 H   -6.867700      -1.032000       2.490100    
 H    2.645700     -0.5740000       1.433000    
 H    1.927800      -1.897800      -2.616600    
 H    3.841500       2.516500      0.9304000    
 H    3.501900       4.250500      0.7174000    
 H    3.141600       3.473900       2.256400    
 H    4.271900      -2.345000      -2.908300    
 H    5.869000      -1.944100      -1.122200    
 H    7.095500      -1.588200      0.3663000    
 H    7.326800      -1.052900       1.982500    
 H    5.699600     -0.4056000       3.160100    


%chk=000064919-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064919

0 1
S -2.309878 2.344395 -1.253756
O -3.317271 2.642693 -0.015184
O -2.435965 3.092534 -2.690647
O -0.242095 -0.813549 -2.572598
N -2.564927 0.525429 -1.646936
N 0.589548 -0.789310 -0.371036
N 6.269009 -1.573534 1.673423
N 4.705638 0.094416 2.474930
C -1.835025 -0.419793 -0.764649
C -2.625431 -1.768868 -0.716288
C -3.752229 -1.811416 0.311856
C -0.413710 -0.682262 -1.320916
C -0.557011 2.568539 -0.564700
C -4.612773 -0.704716 0.539499
C -3.958810 -3.000928 1.058105
C -0.415329 2.657586 0.831422
C 0.521271 2.662383 -1.458521
C 1.977242 -1.045435 -0.575681
C 2.019878 2.905945 0.493103
C 0.886757 2.825172 1.350416
C 1.813225 2.831584 -0.911277
C -5.651486 -0.793950 1.493285
C -5.003289 -3.092154 2.005693
C -5.854682 -1.985525 2.227470
C 2.842228 -0.842032 0.525294
C 2.502583 -1.494399 -1.817561
C 4.228538 -1.081061 0.408389
C 3.410075 3.054993 1.074593
C 3.888835 -1.730493 -1.926281
C 4.756265 -1.531762 -0.829917
C 5.098221 -0.817130 1.602563
H -1.801850 0.006574 0.256482
H -3.013328 -1.956616 -1.736197
H -1.910984 -2.586906 -0.499375
H -2.271493 0.406196 -2.640414
H 0.326267 -0.556249 0.590393
H -4.472621 0.221113 -0.027254
H -3.298306 -3.862637 0.895216
H -1.300768 2.629799 1.475941
H 0.360951 2.616401 -2.540569
H 1.027119 2.904344 2.434786
H 2.673577 2.903389 -1.585682
H -6.303794 0.070878 1.658495
H -5.148627 -4.020340 2.570297
H -6.664396 -2.050772 2.963075
H 2.468350 -0.472683 1.487686
H 1.835524 -1.630886 -2.670037
H 3.756332 2.102687 1.529516
H 4.143143 3.345000 0.302443
H 3.429168 3.821385 1.871243
H 4.296611 -2.063013 -2.886952
H 5.834993 -1.674596 -0.958760
H 6.420005 -2.367612 1.054855
H 6.941603 -1.415677 2.421160
H 5.343219 0.192674 3.291559


