%chk=000077805.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077805

1 1
 S    3.763300     -0.6728000     -3.1900000E-02
 O   -2.473800      0.5739000      0.2026000    
 O    4.065400     -0.8967000      -1.622900    
 O    4.844300      0.1480000      0.4942000    
 O    3.461000      -1.967800      0.5572000    
 N   -3.600300     -0.2935000      0.2396000    
 C  -0.1181000      0.3810000      0.1160000    
 C   -1.399200     -0.2811000      0.1595000    
 C    1.055300     -0.3719000      6.9600001E-02
 C    2.293700      0.2688000      2.7400000E-02
 C   -4.957200      0.1584000      0.2923000    
 C   -1.760600      -1.621400      0.1663000    
 C   -3.175400      -1.600700      0.2179000    
 C  -5.3100001E-02   1.774400      0.1202000    
 C    2.358500       1.662200      3.1500001E-02
 C    1.185100       2.415000      7.8000002E-02
 C   -5.488900      0.3241000      -1.117400    
 H    1.013700      -1.457600      5.6800000E-02
 H   -5.563700     -0.5584000      0.8554000    
 H   -4.981900       1.114700      0.8245000    
 H   -1.113200      -2.485300      0.1385000    
 H   -3.864100      -2.432400      0.2384000    
 H  -0.9430000       2.397400      0.1551000    
 H    3.311200       2.182700     -8.2000000E-03
 H    1.236000       3.500000      7.9499997E-02
 H   -4.880100       1.037700      -1.682500    
 H   -6.519500      0.6905000      -1.097100    
 H   -5.473000     -0.6279000      -1.657800    
 H    4.221100     -7.3899999E-02  -2.143700    


%chk=000077805-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000077805

1 1
S 3.840022 -0.595317 -0.006583
O -2.617378 0.416694 0.180746
O 3.999552 -0.566598 -1.845279
O 5.022969 0.277396 0.656545
O 3.489596 -2.091867 0.494778
N -3.686717 -0.537046 0.288399
C -0.173993 0.401265 0.096867
C -1.422795 -0.335089 0.181863
C 1.047693 -0.329476 0.063531
C 2.235653 0.398036 -0.010332
C -5.055255 0.025964 0.262970
C -1.747146 -1.697952 0.279261
C -3.157317 -1.778138 0.340949
C -0.148739 1.826723 0.047650
C 2.299728 1.800577 -0.054122
C 1.076629 2.515559 -0.023585
C -5.442624 0.598157 -1.112249
H 1.088509 -1.423626 0.107981
H -5.714643 -0.810777 0.556136
H -5.110563 0.793690 1.054468
H -1.060123 -2.538427 0.310143
H -3.795993 -2.656810 0.422025
H -1.086021 2.390967 0.073898
H 3.264094 2.317325 -0.095152
H 1.087618 3.608446 -0.055892
H -4.789029 1.437715 -1.400516
H -6.476464 0.978639 -1.053793
H -5.406144 -0.172804 -1.899914
H 4.882381 -0.965829 -2.101791


