%chk=000015029.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015029

0 1
 S   -2.615600      6.5899998E-02   1.031300    
 O    2.789900      0.9994000       1.545600    
 O    3.447900       1.561600     -0.7036000    
 O   0.6973000      -3.247900      0.2994000    
 O   -1.019400      -3.931800     -0.9004000    
 N  -0.5058000      -3.241500     -5.7000001E-03
 N   -3.661000       3.656700     -0.5197000    
 C   -1.471400     -0.9978000      5.2400000E-02
 C  -0.1661000     -0.3151000     -0.1857000    
 C   -1.402700      -2.359600      0.7696000    
 C   0.6633000     -8.1000002E-03  0.8957000    
 C    1.860200      0.6232000      0.6256000    
 C   0.2179000      1.3000000E-02  -1.497800    
 C    2.235900      0.9444000     -0.6587000    
 C    1.435500      0.6521000      -1.743800    
 C   -2.694900       1.449300     -0.1231000    
 C    3.793200       1.592700      0.6962000    
 C   -3.604100       2.543300      0.4227000    
 H   -1.974600      -1.167600     -0.9091000    
 H  -0.9898000      -2.296000       1.783000    
 H   -2.380000      -2.853500      0.8193000    
 H   0.3925000     -0.2520000       1.917300    
 H  -0.4284000     -0.2262000      -2.338800    
 H    1.735000      0.9071000      -2.753900    
 H   -1.696400       1.870900     -0.2732000    
 H   -3.071700       1.092300      -1.088000    
 H    4.736400       1.052400      0.8372000    
 H    3.936900       2.636300      0.9991000    
 H   -4.620400       2.162300      0.5735000    
 H   -3.234600       2.913000       1.386200    
 H   -2.728200       4.047400     -0.6464000    
 H   -4.231900       4.403400     -0.1256000    


%chk=000015029-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015029

0 1
S -2.716124 -0.013306 0.996716
O 2.673337 1.451886 1.525295
O 3.588221 1.571399 -0.688027
O 0.244230 -4.168979 0.536013
O -0.810005 -3.467890 -1.361316
N -0.570441 -3.405604 -0.098326
N -3.727060 3.795076 -0.288301
C -1.464264 -1.030747 -0.042769
C -0.135433 -0.324708 -0.251080
C -1.339320 -2.363354 0.720629
C 0.573759 0.224149 0.861309
C 1.808901 0.811497 0.600463
C 0.410609 -0.244353 -1.556810
C 2.349511 0.884106 -0.704352
C 1.669965 0.368491 -1.808342
C -2.894844 1.487567 -0.153895
C 3.907800 1.754398 0.753957
C -3.598539 2.631564 0.603250
H -1.944315 -1.234635 -1.014318
H -0.795099 -2.267179 1.671993
H -2.336691 -2.804207 0.902850
H 0.145765 0.208206 1.867640
H -0.142821 -0.682176 -2.394040
H 2.087124 0.429999 -2.816248
H -1.878032 1.787266 -0.463427
H -3.481234 1.197465 -1.040225
H 4.698648 1.036090 1.040956
H 4.191555 2.803419 0.927397
H -4.614067 2.305506 0.894834
H -3.041253 2.837966 1.546025
H -2.868128 4.325778 -0.447061
H -4.546858 4.384910 -0.140190


