%chk=000116017.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116017

0 1
 S   0.8430000      -1.242000      -1.066100    
 O   -5.302200       1.144000      0.5192000    
 O   -2.996800      -3.078700     -7.5300001E-02
 O  -0.8727000      -3.161400     -0.6231000    
 O    5.482300       1.591700      -1.135500    
 N   -1.912700      -2.516600     -0.3546000    
 N    3.469900      0.3688000      -1.366700    
 C  -0.6884000     -0.4011000     -0.6704000    
 C   -1.860700      -1.093500     -0.3680000    
 C   -3.022300       1.003700     -6.8800002E-02
 C    1.911700     -0.6278000      0.2252000    
 C   -3.027800     -0.3912000     -6.7199998E-02
 C  -0.6829000      0.9937000     -0.6720000    
 C   -1.849900       1.696200     -0.3710000    
 C    3.076800      9.1799997E-02 -5.3300001E-02
 C    1.556200     -0.8803000       1.552700    
 C   -4.239000       1.735700      0.2455000    
 C    3.880600      0.5552000      0.9883000    
 C    2.359900     -0.4168000       2.594400    
 C    3.521900      0.3010000       2.312000    
 C   -4.240200       3.260600      0.2463000    
 C    4.593300       1.067100      -1.791600    
 H   -3.951500     -0.9133000      0.1712000    
 H   0.2142000       1.559100     -0.9125000    
 H   -1.802200       2.780600     -0.3852000    
 H   0.6603000      -1.443700       1.802500    
 H    4.794000       1.117300      0.8586000    
 H    2.081700     -0.6160000       3.625200    
 H    4.146900      0.6612000       3.124200    
 H    2.853500      1.3600000E-02  -2.094200    
 H   -5.242000       3.617500      0.5061000    
 H   -3.542200       3.638800      0.9976000    
 H   -3.994600       3.639400     -0.7491000    
 H    4.606500       1.106700      -2.894300    


%chk=000116017-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116017

0 1
S 0.825936 -1.850743 0.016879
O -5.195338 1.448764 -0.929031
O -3.180052 -2.847481 -1.772181
O -1.010620 -3.309649 -1.244736
O 4.347718 1.806020 -1.908784
N -2.038839 -2.517243 -1.273948
N 2.796881 0.136069 -1.265314
C -0.645464 -0.741765 -0.105741
C -1.874738 -1.161527 -0.703519
C -2.925809 1.007806 -0.265426
C 2.028995 -0.732247 0.891767
C -2.990188 -0.304361 -0.780405
C -0.600563 0.578415 0.411488
C -1.710528 1.435562 0.334979
C 2.913844 0.108948 0.147635
C 2.133348 -0.818914 2.295890
C -4.144792 1.887345 -0.379303
C 3.878792 0.884121 0.849709
C 3.096944 -0.051304 2.987390
C 3.958135 0.798012 2.254972
C -4.081875 3.299395 0.187545
C 3.485134 0.928926 -2.180465
H -3.914819 -0.660267 -1.245929
H 0.319050 0.930424 0.887055
H -1.622922 2.444921 0.749650
H 1.457175 -1.487062 2.839087
H 4.543844 1.536754 0.280732
H 3.174663 -0.121284 4.076770
H 4.709028 1.398619 2.780010
H 2.123283 -0.536215 -1.655502
H -5.052715 3.792532 0.029896
H -3.855302 3.284583 1.270206
H -3.290986 3.893082 -0.308427
H 3.167381 0.701063 -3.222850


