%chk=000158860.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158860

0 1
 S   -2.050700      -1.240400      0.1449000    
 O   -2.469400      -1.982300      -1.033700    
 O   -2.471300      -1.716300       1.453300    
 O   -2.210200       2.628200     -0.3267000    
 N   -2.666000      0.3601000     -2.6900001E-02
 N  -0.4199000       1.207900     -0.1505000    
 N  -0.4257000      -1.165100      0.1385000    
 C   0.1954000     -3.5399999E-02  7.1999999E-03
 C    1.682000     -2.1199999E-02  5.2999998E-03
 C   -1.786700       1.483000     -0.1783000    
 C   -4.143000      0.5086000     -4.5800000E-02
 C    2.386600      -1.123600     -0.4749000    
 C    2.366900       1.094300      0.4832000    
 C    3.781300      -1.110300     -0.4770000    
 C    3.761700       1.107500      0.4809000    
 C    4.468900      5.1000002E-03  7.9999998E-04
 H   0.1685000       2.024000     -0.2894000    
 H   -4.647200     -0.4504000      0.1027000    
 H   -4.458000      0.9170000      -1.010200    
 H   -4.453500       1.184500      0.7560000    
 H    1.872000      -2.000400     -0.8587000    
 H    1.853200       1.958400      0.8941000    
 H    4.332200      -1.968000     -0.8520000    
 H    4.297800       1.972900      0.8596000    
 H    5.555000      1.4900000E-02  3.9999999E-04


%chk=000158860-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158860

0 1
S -2.157923 -1.407542 -0.227785
O -2.334769 -1.772845 -1.789980
O -2.954181 -2.259064 0.877458
O -2.176644 2.642679 -0.438374
N -2.685118 0.417464 0.061252
N -0.458995 1.069548 -0.488917
N -0.342694 -1.276848 0.199319
C 0.202410 -0.095596 -0.110271
C 1.689102 -0.026733 -0.022702
C -1.833936 1.435802 -0.305090
C -4.101070 0.656528 0.381366
C 2.453362 -1.189819 -0.304077
C 2.344593 1.177507 0.352978
C 3.859730 -1.141203 -0.229180
C 3.752765 1.218236 0.424542
C 4.512652 0.061850 0.130075
H 0.108146 1.846962 -0.838518
H -4.513784 -0.271775 0.812223
H -4.677244 0.946661 -0.514309
H -4.172907 1.461006 1.132114
H 1.933016 -2.111137 -0.581992
H 1.765784 2.066868 0.629918
H 4.446731 -2.037779 -0.453236
H 4.254941 2.145068 0.720418
H 5.605933 0.097158 0.185566


