%chk=000129176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129176

0 1
 S  -0.9565000       3.534400     -0.6274000    
 S   -1.722000       2.248300      -2.035600    
 O  -0.4610000       2.138000       2.081100    
 O    1.743700      0.7987000       2.574400    
 O    3.780900      0.3064000      -2.051300    
 N    3.424900      0.6706000      0.2209000    
 N   -3.376900       1.828100      2.5500000E-02
 C    2.147100      1.4100000E-02  0.3305000    
 C    2.313500      -1.458300      0.7137000    
 C    1.380500      0.7894000       1.396900    
 C   0.1310000       1.535200      0.9392000    
 C    1.111300      -2.296600      0.3552000    
 C   0.5121000       2.619600     -6.3500002E-02
 C    1.037500      -2.911900     -0.8946000    
 C   7.3500000E-02  -2.456000       1.273400    
 C    4.135400      0.7607000     -0.9666000    
 C  -7.4199997E-02  -3.686600      -1.225800    
 C   -1.038100      -3.230800      0.9421000    
 C   -1.111900      -3.846000     -0.3075000    
 C    5.425500       1.519500     -0.8067000    
 C   -2.817900       1.238700      -1.055100    
 C   -3.047100     -7.6200001E-02  -1.427000    
 C   -3.905500     -0.8349000     -0.6393000    
 C   -4.205600       1.059400      0.7672000    
 C   -4.500000     -0.2638000      0.4805000    
 H    1.631800      9.0999998E-02 -0.6331000    
 H    2.532600      -1.571500       1.783700    
 H    3.188200      -1.883000      0.2016000    
 H  -0.5625000      0.7929000      0.5383000    
 H    3.833400       1.069300       1.062200    
 H    1.169000       3.354300      0.4170000    
 H    1.054800       2.234500     -0.9315000    
 H    1.838100      -2.792600      -1.619800    
 H   0.1182000      -1.981500       2.250000    
 H  -0.1327000      -4.164400      -2.199400    
 H   -1.847000      -3.353500       1.656300    
 H   0.1453000       2.822400       2.412300    
 H   -1.978300      -4.447700     -0.5660000    
 H    5.997400       1.118700      3.5100002E-02
 H    6.025300       1.422900      -1.715900    
 H    5.208000       2.576400     -0.6299000    
 H   -2.579600     -0.5201000      -2.300100    
 H   -4.109700      -1.870000     -0.8965000    
 H   -4.642200       1.551300       1.630100    
 H   -5.171500     -0.8369000       1.109500    


%chk=000129176-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129176

0 1
S -1.499803 2.841758 -1.429541
S -2.350853 0.796773 -1.921424
O -0.687360 1.889263 1.539136
O 1.972149 1.869236 1.985043
O 4.759414 -0.300936 -1.404604
N 3.929693 0.802773 0.452784
N -4.386678 1.613137 -0.235199
C 2.566987 0.323504 0.208121
C 2.399134 -1.179235 0.681419
C 1.594542 1.224527 0.959512
C 0.150289 1.386607 0.470861
C 1.282893 -1.946340 -0.005884
C 0.195654 2.341087 -0.760692
C 1.366341 -2.208069 -1.400565
C 0.179765 -2.458635 0.721456
C 4.963242 0.447484 -0.394890
C 0.365610 -2.961966 -2.050073
C -0.816260 -3.226561 0.074296
C -0.728062 -3.477772 -1.314156
C 6.337099 1.004806 -0.047724
C -3.580794 0.575294 -0.551364
C -3.665419 -0.703853 0.051207
C -4.670200 -0.906756 1.023667
C -5.330496 1.412450 0.728278
C -5.518682 0.169067 1.374624
H 2.376367 0.344070 -0.880661
H 2.288068 -1.202333 1.780843
H 3.366222 -1.651158 0.430437
H -0.270170 0.416750 0.145156
H 4.070768 1.395175 1.276485
H 0.649427 3.312837 -0.486876
H 0.769270 1.889188 -1.586679
H 2.232790 -1.838599 -1.964380
H 0.105842 -2.266977 1.799252
H 0.442823 -3.158565 -3.125126
H -1.648305 -3.640679 0.656179
H -0.101621 2.399641 2.165028
H -1.496749 -4.074991 -1.817409
H 6.332531 1.658805 0.840833
H 7.034995 0.167730 0.127370
H 6.723147 1.574449 -0.910396
H -2.959269 -1.493851 -0.219001
H -4.773467 -1.881973 1.511461
H -5.951893 2.280366 0.975301
H -6.300180 0.054972 2.131993


