%chk=000052186.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052186

0 1
 S   -2.356300     -0.6616000      0.2083000    
 O  -0.2770000      -1.008400      -2.264600    
 O   8.4700003E-02  0.6498000       2.113700    
 O    3.060000      -2.463400      0.5291000    
 N    1.448200      -1.660000     -0.9001000    
 N    1.628400     -0.8321000       1.287300    
 C   0.1515000      0.3312000     -0.2892000    
 C    1.004100       1.504700     -0.8039000    
 C   -1.331100      0.7302000     -0.3179000    
 C   0.8671000       2.713600      0.1082000    
 C   0.3828000     -0.8395000      -1.239500    
 C   0.5800000      6.5499999E-02   1.150500    
 C    1.690900       3.880100     -0.4131000    
 C    2.122400      -1.693200      0.3147000    
 C   -3.978000      0.1257000      6.1999999E-02
 C   -5.077600     -0.8425000      0.4546000    
 H   0.7045000       1.770300      -1.826500    
 H    2.062000       1.214700     -0.8623000    
 H   -1.637300       1.031000      -1.326400    
 H   -1.559200       1.553100      0.3642000    
 H    1.231100       2.509200       1.118600    
 H  -0.1666000       3.060100      0.1840000    
 H    1.713400      -2.365200      -1.582000    
 H    2.026600     -0.9269000       2.217400    
 H    2.752600       3.618900     -0.4688000    
 H    1.358200       4.181400      -1.411700    
 H    1.589800       4.744100      0.2516000    
 H   -4.014200       1.004500      0.7133000    
 H   -4.129400      0.4530000     -0.9714000    
 H   -5.086500      -1.725700     -0.1932000    
 H   -4.970600      -1.173300       1.493400    
 H   -6.054000     -0.3551000      0.3621000    


%chk=000052186-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052186

0 1
S -2.549066 -0.624962 -0.930575
O 0.495734 -0.710870 -2.712146
O -0.665525 0.759011 1.748352
O 2.188132 -2.834706 1.060518
N 1.361238 -1.708809 -0.814726
N 0.837149 -0.950789 1.361555
C 0.075169 0.439177 -0.580171
C 1.108527 1.630634 -0.779769
C -1.334077 0.828203 -1.078774
C 0.728796 2.975124 -0.120898
C 0.620906 -0.703042 -1.461899
C 0.013306 0.098978 0.917082
C 1.855583 4.015875 -0.305815
C 1.514879 -1.895976 0.569379
C -3.659066 0.007130 0.485375
C -4.632051 -1.109604 0.887141
H 1.215408 1.769602 -1.873382
H 2.098911 1.304924 -0.399997
H -1.289578 1.110694 -2.141526
H -1.736684 1.655740 -0.476936
H 0.522229 2.832394 0.955436
H -0.203191 3.366469 -0.571228
H 1.793852 -2.423327 -1.409445
H 0.873040 -1.117006 2.372796
H 2.793219 3.680693 0.176085
H 2.070909 4.190950 -1.376634
H 1.574293 4.984857 0.144210
H -2.999448 0.301634 1.317886
H -4.198290 0.894259 0.111060
H -5.263243 -1.422811 0.036161
H -4.090469 -1.996888 1.260154
H -5.300094 -0.753359 1.693131


