%chk=000088662.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088662

0 1
 S   -3.537200      -1.071100     -3.3599999E-02
 P   -5.212500      0.1844000     -5.9999999E-02
 O   -6.549100     -0.7274000      6.1799999E-02
 O   -5.271000       1.029800       1.323600    
 O   -5.219700       1.064900      -1.280100    
 N    1.642300     -0.5563000     -3.0000001E-04
 N    7.797600      0.5821000      2.1100000E-02
 C    4.093000     -0.4795000     -1.2300000E-02
 C    2.798000      0.3327000      2.0000001E-03
 C   0.4012000      0.2051000      2.4999999E-03
 C    5.319100      0.4394000     -1.0000000E-03
 C  -0.8021000     -0.7384000     -8.8000000E-03
 C    6.649400     -0.3164000      1.3100000E-02
 C   -2.109100      5.0600000E-02 -2.7899999E-02
 H    4.129100      -1.141300      0.8622000    
 H    4.124900      -1.118600     -0.9036000    
 H    2.773100      0.9824000     -0.8812000    
 H    2.780400      0.9736000      0.8920000    
 H   0.3507000      0.8468000      0.8908000    
 H   0.3570000      0.8519000     -0.8822000    
 H    5.267900       1.093600      0.8790000    
 H    5.283600       1.093200     -0.8821000    
 H  -0.7679000      -1.384200      0.8784000    
 H  -0.7460000      -1.390100     -0.8907000    
 H    1.675300      -1.167700      0.8150000    
 H   -2.180700      0.6973000      0.8525000    
 H   -2.162300      0.6841000     -0.9191000    
 H    6.701100     -0.9624000      0.8963000    
 H    6.716900     -0.9670000     -0.8656000    
 H    7.757300       1.192900     -0.7941000    
 H    7.742500       1.197300      0.8321000    
 H   -7.424200     -0.2997000     -5.4299999E-02
 H   -5.937600       1.743900       1.412400    


%chk=000088662-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088662

0 1
S -3.888905 -0.072366 1.672652
P -4.487005 0.024380 -0.507976
O -4.589126 -1.572624 -1.198813
O -6.182278 0.233127 -0.337787
O -3.639730 1.051288 -1.380743
N 1.353864 -0.089997 0.554279
N 7.536678 -0.120733 -1.066702
C 3.735565 -0.385461 -0.120461
C 2.653204 0.595771 0.369148
C 0.245829 0.787644 0.984502
C 5.109456 0.289420 -0.333774
C -1.080505 -0.002923 1.036598
C 6.197717 -0.698866 -0.837066
C -2.248695 0.885618 1.481174
H 3.845023 -1.210750 0.616081
H 3.387545 -0.849666 -1.063829
H 2.509969 1.391736 -0.388991
H 3.011487 1.104677 1.301306
H 0.430559 1.272859 1.978683
H 0.155088 1.607142 0.244408
H 5.454568 0.751027 0.615452
H 5.008179 1.116240 -1.067900
H -0.976854 -0.861458 1.729889
H -1.273727 -0.413953 0.028697
H 1.450268 -0.904398 1.178937
H -2.091507 1.316567 2.486044
H -2.438498 1.700763 0.762309
H 6.303046 -1.526872 -0.108456
H 5.857957 -1.162025 -1.784069
H 7.569557 0.568959 -1.824239
H 7.991506 0.230561 -0.217911
H -3.756524 -1.901330 -1.624060
H -6.712710 -0.228457 -1.039481


