%chk=000005074.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005074

0 1
 S   -8.553200      0.2979000      -1.024100    
 F    4.709300      -5.366400     -0.1250000    
 F    6.494300       4.188800      -1.533800    
 O   -4.011100      -1.498200     -0.8879000    
 N  -0.7407000      0.8524000       1.026600    
 N   -6.131300     -0.5510000     -0.8392000    
 N   -6.680700       1.155600      0.7267000    
 C  -0.2604000     -0.5203000      0.7944000    
 C   0.1646000       1.839500      0.4143000    
 C    1.141900     -0.7288000       1.377100    
 C    1.583800       1.725100      0.9823000    
 C    2.089900      0.3145000      0.8517000    
 C   -2.098700       1.013100      0.5072000    
 C   -3.053200      6.2300000E-02   1.222800    
 C    3.267200      1.2100000E-02  0.2877000    
 C   -4.447400      0.2136000      0.7157000    
 C    3.651300      -1.421500      0.1788000    
 C    4.126300       1.125700     -0.1983000    
 C   -5.386400       1.059000       1.202600    
 C   -4.823700     -0.7071000     -0.4158000    
 C    4.355900      -2.001100       1.211900    
 C    3.976800       1.562400      -1.497000    
 C    3.289000      -2.120700     -0.9525000    
 C    5.043000       1.682200      0.6677000    
 C   -6.979100      0.3663000     -0.2463000    
 C   -5.101700       2.032800       2.317000    
 C    4.715800      -3.344800       1.108700    
 C    4.782900       2.606000      -1.951700    
 C    3.648900      -3.464500      -1.055600    
 C    5.848900       2.725900      0.2130000    
 C   -6.712900      -1.270100      -1.860700    
 C    4.362300      -4.076500     -2.5100000E-02
 C    5.719000       3.187800      -1.096700    
 C   -7.990600     -0.9519000      -2.096400    
 H  -0.2597000     -0.7613000     -0.2773000    
 H  -0.8783000      -1.264700       1.301700    
 H   0.1916000       1.719200     -0.6773000    
 H  -0.2022000       2.852500      0.6212000    
 H    1.433700      -1.763700       1.183300    
 H    1.097600     -0.6299000       2.470400    
 H    1.567100       1.985100       2.049500    
 H    2.197900       2.488300      0.4990000    
 H   -2.126100      0.8386000     -0.5770000    
 H   -2.430500       2.046100      0.6727000    
 H   -3.015500      0.2364000       2.305700    
 H   -2.780500     -0.9899000       1.109400    
 H    4.635600      -1.441000       2.099700    
 H    3.250100       1.117500      -2.170900    
 H    2.732300      -1.654500      -1.760400    
 H    5.152200       1.330900       1.689900    
 H   -4.041900       2.132300       2.561700    
 H   -5.631600       1.725700       3.224800    
 H   -5.453400       3.033100       2.039600    
 H    5.271300      -3.821600       1.910800    
 H    4.681900       2.966000      -2.971300    
 H    3.373700      -4.034500      -1.938200    
 H    6.577900       3.179000      0.8783000    
 H   -6.141300      -2.015900      -2.394200    
 H   -8.617300      -1.401500      -2.853100    


%chk=000005074-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005074

0 1
S -8.867343 0.382431 -1.080002
F 5.086006 -5.260671 -0.926324
F 7.121868 4.108589 -0.871338
O -4.388132 -1.737573 -0.593720
N -0.859426 0.704918 0.926401
N -6.441981 -0.600114 -0.684488
N -6.868892 1.401500 0.589932
C -0.300374 -0.659385 0.755512
C 0.049858 1.723055 0.345408
C 1.093355 -0.762481 1.421370
C 1.448510 1.688979 1.019872
C 2.049996 0.296534 0.895574
C -2.244468 0.832473 0.410849
C -3.284431 0.128374 1.324677
C 3.284906 0.029109 0.343150
C -4.691693 0.265796 0.778450
C 3.740491 -1.366748 0.024848
C 4.274750 1.111946 0.024117
C -5.574519 1.305059 1.119925
C -5.086046 -0.761381 -0.181663
C 5.020126 -1.822645 0.448664
C 4.954733 1.126036 -1.226352
C 2.936864 -2.249751 -0.749564
C 4.599834 2.121018 0.973778
C -7.238575 0.470365 -0.262923
C -5.239707 2.414542 2.088749
C 5.476130 -3.122474 0.143800
C 5.900502 2.125311 -1.538911
C 3.374360 -3.552778 -1.071442
C 5.547328 3.126701 0.685983
C -7.044296 -1.476322 -1.609580
C 4.636749 -3.961032 -0.610039
C 6.172715 3.108281 -0.571853
C -8.322456 -1.121755 -1.936748
H -0.216306 -0.926818 -0.330924
H -0.982475 -1.392345 1.219616
H 0.181677 1.576866 -0.758588
H -0.401262 2.721598 0.496518
H 1.490746 -1.783096 1.304742
H 0.949606 -0.581598 2.506787
H 1.312380 1.954367 2.087765
H 2.085200 2.458302 0.552824
H -2.344250 0.427220 -0.626629
H -2.490076 1.911046 0.363787
H -3.195727 0.541866 2.343227
H -3.048355 -0.948982 1.377753
H 5.661951 -1.151544 1.029242
H 4.734031 0.347667 -1.964480
H 1.966989 -1.902566 -1.121520
H 4.121329 2.101220 1.958652
H -4.173841 2.441414 2.357676
H -5.834564 2.297102 3.014005
H -5.527515 3.385072 1.648719
H 6.454329 -3.481690 0.476409
H 6.417546 2.146167 -2.502657
H 2.762351 -4.232998 -1.670779
H 5.805492 3.899328 1.415935
H -6.461371 -2.324383 -1.966170
H -9.000026 -1.626820 -2.619927


