%chk=000103069.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103069

0 1
 S   -3.180300       1.753700      0.6767000    
 O   -3.265600       2.645900     -0.6891000    
 O    6.096800      -1.310600       1.031100    
 O   -4.512500       1.734700       1.258900    
 O   -2.036300       2.210700       1.447500    
 N  -0.5473000      0.7865000     -0.5178000    
 N    3.732000      -1.159800      0.9513000    
 N    4.960500      0.3313000     -0.2451000    
 N   -4.521400      -3.149900     -6.1299998E-02
 C    2.856800     -0.3005000      0.2871000    
 C   0.8635000      0.7109000     -0.4794000    
 C    3.609100      0.6127000     -0.4456000    
 C   -1.555300     -0.1866000     -0.3954000    
 C    1.480500     -0.2790000      0.2921000    
 C   -2.808800      0.1298000      0.1365000    
 C    1.627100       1.637600      -1.222900    
 C    3.024800       1.595600      -1.212000    
 C   -1.294100      -1.493900     -0.8155000    
 C   -3.792500     -0.8528000      0.2474000    
 C    5.067700     -0.7839000      0.6333000    
 C   -3.527000      -2.156100     -0.1732000    
 C   -2.277800      -2.476500     -0.7046000    
 H   0.9213000     -0.9896000      0.8895000    
 H  -0.8947000       1.720300     -0.7153000    
 H    1.128700       2.400000      -1.818100    
 H    3.611100       2.305900      -1.782300    
 H    3.450200      -1.921200       1.556300    
 H    5.728000      0.8436000     -0.6619000    
 H  -0.3404000      -1.770500      -1.257100    
 H   -4.773200     -0.6246000      0.6562000    
 H   -2.060800      -3.487200      -1.040900    
 H   -4.328900      -4.094900     -0.3656000    
 H   -5.427300      -2.919000      0.3245000    
 H   -3.966000       2.375300      -1.328300    


%chk=000103069-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103069

0 1
S -3.318488 1.716309 0.703384
O -2.738970 2.649810 -0.863058
O 6.207108 -1.267948 0.983426
O -4.925423 1.828380 0.853352
O -2.383666 2.263331 1.903782
N -0.612124 0.766653 -0.573420
N 3.807993 -1.142517 0.870500
N 4.981767 0.355143 -0.299556
N -4.602803 -3.273478 -0.050254
C 2.869961 -0.321167 0.220307
C 0.798658 0.664790 -0.548819
C 3.620377 0.640411 -0.526131
C -1.540981 -0.259213 -0.353677
C 1.467990 -0.322584 0.231741
C -2.859546 0.006091 0.104804
C 1.550111 1.621502 -1.292544
C 2.963400 1.625952 -1.279364
C -1.295602 -1.629604 -0.676059
C -3.896702 -0.939209 0.192194
C 5.138558 -0.749575 0.570238
C -3.618743 -2.289488 -0.140092
C -2.291438 -2.609017 -0.563900
H 0.903012 -1.023310 0.852277
H -1.019538 1.682804 -0.812947
H 1.014998 2.366598 -1.891293
H 3.518613 2.375253 -1.852141
H 3.612114 -1.919810 1.496651
H 5.783337 0.851356 -0.681002
H -0.312652 -1.903435 -1.069837
H -4.890584 -0.624050 0.527710
H -2.051729 -3.642956 -0.839877
H -4.393616 -4.239936 -0.280724
H -5.549087 -3.042934 0.237223
H -2.888405 3.623748 -0.695896


