%chk=000001526.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001526

0 1
 S    5.332400       1.461600      0.8143000    
 F   -3.450900       2.550800       2.096900    
 F   -3.749500      0.4512000       2.594700    
 F   -5.351600       1.586600       1.646300    
 O   -3.864600     -4.4500001E-02 -0.2355000    
 O   0.3565000       1.565500      0.2763000    
 O    3.189100       1.044700      -1.463900    
 O    4.009800       2.051400      0.8963000    
 O    6.206900       1.417200       1.970100    
 N   -1.505000       1.089200      -1.032400    
 N    1.667900     -0.6120000     -0.7885000    
 N    2.415300      -2.345600      0.6862000    
 N    5.225700     -9.5799997E-02  0.1268000    
 N   -3.567100      -4.361600     -0.2111000    
 C   -3.098900       2.998200      -1.222900    
 C   -2.453200       1.918600     -0.3341000    
 C   -3.956900       2.360600      -2.320300    
 C   -2.084000       3.957900      -1.852300    
 C   -3.487100      0.9967000      0.3028000    
 C   0.5729000     -4.4999998E-03  -1.547100    
 C  -0.1681000      0.9798000     -0.6674000    
 C    1.491100      -1.793700     -4.3900002E-02
 C   -4.009000       1.395100       1.655400    
 C    2.911700      3.5799999E-02 -0.8213000    
 C    3.927500     -0.6215000      2.0700000E-02
 C   0.1765000      -2.461500     -8.6800002E-02
 C    3.635700      -1.727300      0.7051000    
 C  -0.8071000      -2.126000      0.8435000    
 C  -8.3099999E-02  -3.428400      -1.058200    
 C   -2.050300      -2.757200      0.8026000    
 C   -1.326200      -4.059700      -1.099100    
 C   -2.309700      -3.724100     -0.1688000    
 C    6.203500       2.302400     -0.4846000    
 H   -3.771200       3.595700     -0.5926000    
 H   -1.909000       2.420000      0.4736000    
 H   -1.850800      0.5206000      -1.799800    
 H   -3.368400       1.714800      -2.979900    
 H   -4.781400       1.773600      -1.905100    
 H   -4.410100       3.138300      -2.946000    
 H   -1.464800       4.424300      -1.078900    
 H   -2.594400       4.757300      -2.399900    
 H   -1.420900       3.440600      -2.553600    
 H   0.9740000      0.5551000      -2.399600    
 H  -0.1013000     -0.7674000      -1.942600    
 H    4.378400      -2.213100       1.330600    
 H    5.930700     -0.7607000      0.4730000    
 H  -0.6162000      -1.373300       1.604200    
 H   0.6761000      -3.696500      -1.788200    
 H   -2.808900      -2.485500       1.532300    
 H   -1.516500      -4.811000      -1.861300    
 H    6.352300       3.339100     -0.1743000    
 H    7.171400       1.819400     -0.6325000    
 H    5.609200       2.273500      -1.398900    
 H   -3.755300      -5.063800     -0.9142000    
 H   -4.280300      -4.119500      0.4638000    


%chk=000001526-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001526

0 1
S 6.085760 1.589188 0.252103
F -4.832840 0.980896 1.315930
F -5.707380 -0.821175 0.254334
F -6.066482 1.261998 -0.575190
O -3.811572 -0.553528 -1.751436
O -0.098222 1.168026 0.553895
O 3.493972 0.776827 -1.722144
O 4.903173 2.460453 0.953157
O 7.555045 1.458309 0.952161
N -1.499567 0.835541 -1.276109
N 1.857570 -0.556583 -0.678102
N 2.388367 -1.923449 1.219992
N 5.522551 -0.346001 -0.057286
N -3.752640 -3.772391 0.569562
C -3.140629 2.763242 -0.913833
C -2.695008 1.282769 -0.560769
C -3.508742 2.914847 -2.406379
C -2.022253 3.745319 -0.501581
C -3.823395 0.304998 -0.842608
C 0.853485 0.168356 -1.490808
C -0.276423 0.750649 -0.624454
C 1.506167 -1.519887 0.285890
C -5.104681 0.426557 0.045545
C 3.211546 -0.082002 -0.828090
C 4.165469 -0.633717 0.137507
C 0.154997 -2.113231 0.310778
C 3.670348 -1.442245 1.174436
C -0.463321 -2.338896 1.573878
C -0.543696 -2.529586 -0.857299
C -1.748656 -2.887648 1.666582
C -1.824342 -3.096840 -0.777851
C -2.466447 -3.258478 0.487314
C 6.300607 2.148123 -1.549265
H -4.036730 2.981209 -0.298859
H -2.450734 1.273471 0.521799
H -1.644884 0.329092 -2.153832
H -2.642398 2.679989 -3.052256
H -4.353824 2.268234 -2.706149
H -3.800769 3.959585 -2.613435
H -1.746335 3.631888 0.560843
H -2.357981 4.784903 -0.668255
H -1.110948 3.580587 -1.103353
H 1.414871 0.997272 -1.965164
H 0.459100 -0.463225 -2.303543
H 4.336031 -1.771927 1.981967
H 6.133193 -0.810812 0.645823
H 0.085107 -2.057187 2.477428
H -0.063685 -2.461111 -1.839888
H -2.212221 -3.028582 2.650213
H -2.336969 -3.418540 -1.691291
H 6.557190 3.215661 -1.498255
H 7.113273 1.530554 -1.953230
H 5.329105 1.937134 -2.017406
H -4.290233 -3.970090 -0.270300
H -4.220121 -3.867142 1.467182


