%chk=000088976.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088976

0 1
 S    1.905300      -1.636000     -0.3087000    
 O    3.393500       2.573600      0.2496000    
 O    2.273800      -2.533600      0.7652000    
 O    1.989600      -2.054200      -1.691900    
 O   -4.422600      0.8242000      -1.436500    
 N    2.753700     -0.1608000     -0.1210000    
 N   -3.636500      0.2180000      0.7021000    
 C    2.625800      0.4886000       1.216500    
 C    2.566100      0.8327000      -1.218500    
 C    3.624800       1.634100       1.301500    
 C    3.567800       1.963400      -1.031100    
 C   0.2556000      -1.083600     -8.0000004E-03
 C  -0.5158000     -0.6421000      -1.070300    
 C  -0.2394000      -1.101200       1.285500    
 C   -1.819200     -0.2058000     -0.8323000    
 C   -1.542900     -0.6652000       1.523300    
 C   -2.332700     -0.2175000      0.4644000    
 C   -4.571500      0.6971000     -0.2254000    
 C   -5.875300       1.068100      0.4355000    
 H    2.830300     -0.2308000       2.014800    
 H    1.619600      0.9009000       1.338500    
 H    1.552400       1.243300      -1.178000    
 H    2.732000      0.3661000      -2.193700    
 H    3.509100       2.162500       2.253000    
 H    4.658200       1.271800       1.243500    
 H    4.600400       1.606300      -1.125200    
 H    3.410200       2.733800      -1.792500    
 H  -0.1331000     -0.6229000      -2.086300    
 H   0.3586000      -1.443900       2.124200    
 H   -2.368800      0.1273000      -1.701600    
 H   -1.930000     -0.6792000       2.539100    
 H   -3.937000      0.1789000       1.673800    
 H   -6.318500      0.1831000      0.9006000    
 H   -6.569900       1.463400     -0.3109000    
 H   -5.700900       1.833200       1.197300    


%chk=000088976-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088976

0 1
S 1.899685 -1.578828 -0.168530
O 3.869327 2.653636 0.161183
O 2.320993 -2.445184 1.143191
O 2.058567 -2.110735 -1.696441
O -4.637507 0.746866 -1.462592
N 2.979426 -0.026274 -0.087194
N -3.892966 0.137201 0.679894
C 2.970984 0.610676 1.252293
C 2.684976 0.931630 -1.181301
C 4.099137 1.669384 1.228826
C 3.818240 1.983836 -1.146889
C 0.097910 -1.057807 0.066572
C -0.650973 -0.674486 -1.059067
C -0.437345 -1.080362 1.366840
C -1.989956 -0.268438 -0.884866
C -1.774083 -0.678200 1.538413
C -2.555034 -0.261258 0.422281
C -4.854336 0.612661 -0.224724
C -6.196046 0.972758 0.406352
H 3.183794 -0.158784 2.014750
H 2.003301 1.112649 1.481935
H 1.705290 1.444703 -1.048661
H 2.696780 0.389930 -2.143228
H 4.111838 2.245180 2.168558
H 5.074339 1.162010 1.079334
H 4.786686 1.486939 -1.360920
H 3.630679 2.781672 -1.883708
H -0.207670 -0.720303 -2.059300
H 0.167665 -1.432807 2.208316
H -2.603167 0.035720 -1.734478
H -2.216618 -0.693501 2.542235
H -4.188834 0.075026 1.656589
H -6.998828 0.455435 -0.145217
H -6.368096 2.057143 0.289275
H -6.275459 0.715511 1.476781


